Fenpyrazamine

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  • Identifiers

    CAS number
    473798-59-3

    Molecular formula
    C17H21N3O2S

    SMILES
    CC1=CC=CC=C1C2=C(N(N(C2=O)C(C)C)C(=O)SCC=C)N

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Meaty 35.81%
    Roasted 35.21%
    Grape 31.24%
    Fruity 29.61%
    Odorless 29.2%
    Cooked 28.55%
    Savory 26.94%
    Sulfurous 25.54%
    Citrus 24.52%
    Grapefruit 23.81%

     

    Flavor
    Bitter 62.39%
    Odorless 26.8%
    Roasted 23.86%
    Nitrile 20.97%
    Mild 20.42%
    Taco 20.17%
    Roasted peanuts 19.86%
    Scallion 19.71%
    Cedarleaf 19.51%
    Bread crust 19.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    5.56 (weak acid)

    Molecular weight
    331.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    876°C

    Flash point

    • 235.19 ˚C est.

  • Synonyms

    • Fenpyrazamine
    • 473798-59-3
    • Fenpyrazamine [ISO]
    • UNII-2N3SPH9RQG
    • 2N3SPH9RQG
    • Botrycide
    • S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate
    • S-2-propen-1-yl 5-amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-1H-pyrazole-1-carbothioate
    • DTXSID2074742
    • CHEBI:83327
    • 5-amino-2-isopropyl-3-oxo-4-o-tolyl-2,3-dihydropyrazole-1-thiocarboxylic acid S-allyl ester
    • S-allyl 5-amino-2-isopropyl-4-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-pyrazole-1-carbothioat
    • RefChem:140204
    • DTXCID8040561
    • 5-Amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-1H-pyrazole-1-carbothioic acid S-2-propen-1-yl ester
    • Fenpyrazamine 100 microg/mL in Acetonitrile
    • S-Allyl 5-amino-2-isopropyl-3-oxo-4-(o-tolyl)-2,3-dihydro-1H-pyrazole-1-carbothioate
    • Fenpyrazamin
    • SCHEMBL68482
    • SCHEMBL29404610
    • UTOHZQYBSYOOGC-UHFFFAOYSA-N
    • MSK21369
    • AKOS016011990
    • S-prop-2-enyl 5-amino-4-(2-methylphenyl)-3-oxo-2-propan-2-ylpyrazole-1-carbothioate
    • NS00040716
    • Q2855604
    • 1H-Pyrazole-1-carbothioic acid, 5-amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-, S-2-propen-1-yl ester
    • S-(Prop-2-en-1-yl) 5-amino-4-(2-methylphenyl)-3-oxo-2-(propan-2-yl)-2,3-dihydro-1H-pyrazole-1-carbothioate
    • 473798-59-3

  • Applications

    Fenpyrazamine (CAS 473798-59-3) is typically used as an intermediate in organic synthesis, serving as a building block for other chemicals, with particular relevance to agrochemical and pharmaceutical development. In industry, it is studied as a component for the development and optimization of pyrazine-based frameworks and other heterocyclic structures. It can also serve as a precursor for polymer science and materials applications, supporting coatings and plastics formulations. In many cases, its use is considered in R&D settings and is subject to local regulations and formulation limits, so careful assessment is required for each process and application.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.87
    methanol 61.02
    isopropanol 33.92
    water 0.19
    ethyl acetate 73.96
    n-propanol 47.68
    acetone 160.39
    n-butanol 51.88
    acetonitrile 60.48
    DMF 416.68
    toluene 29.15
    isobutanol 34.89
    1,4-dioxane 100.08
    methyl acetate 86.91
    THF 288.97
    2-butanone 158.13
    n-pentanol 38.94
    sec-butanol 38.76
    n-hexane 0.45
    ethylene glycol 18.46
    NMP 441.28
    cyclohexane 1.19
    DMSO 216.44
    n-butyl acetate 46.73
    n-octanol 6.13
    chloroform 191.62
    n-propyl acetate 40.42
    acetic acid 99.87
    dichloromethane 209.51
    cyclohexanone 230.67
    propylene glycol 29.99
    isopropyl acetate 41.66
    DMAc 376.29
    2-ethoxyethanol 76.95
    isopentanol 43.51
    n-heptane 0.29
    ethyl formate 77.29
    1,2-dichloroethane 167.62
    n-hexanol 31.1
    2-methoxyethanol 157.62
    isobutyl acetate 27.27
    tetrachloromethane 12.9
    n-pentyl acetate 33.47
    transcutol 50.07
    n-heptanol 14.31
    ethylbenzene 10.17
    MIBK 53.79
    2-propoxyethanol 82.73
    tert-butanol 28.1
    MTBE 20.24
    2-butoxyethanol 46.16
    propionic acid 58.46
    o-xylene 12.92
    formic acid 52.29
    diethyl ether 25.52
    m-xylene 12.7
    p-xylene 14.47
    chlorobenzene 84.76
    dimethyl carbonate 58.49
    n-octane 0.21
    formamide 80.94
    cyclopentanone 345.91
    2-pentanone 104.89
    anisole 30.88
    cyclopentyl methyl ether 54.22
    gamma-butyrolactone 296.41
    1-methoxy-2-propanol 91.8
    pyridine 184.36
    3-pentanone 77.27
    furfural 273.35
    n-dodecane 0.25
    diethylene glycol 72.56
    diisopropyl ether 4.16
    tert-amyl alcohol 32.71
    acetylacetone 118.3
    n-hexadecane 0.3
    acetophenone 52.93
    methyl propionate 80.25
    isopentyl acetate 43.94
    trichloroethylene 382.32
    n-nonanol 6.87
    cyclohexanol 41.93
    benzyl alcohol 57.72
    2-ethylhexanol 15.64
    isooctanol 12.15
    dipropyl ether 8.54
    1,2-dichlorobenzene 66.38
    ethyl lactate 32.64
    propylene carbonate 142.96
    n-methylformamide 136.86
    2-pentanol 23.25
    n-pentane 0.55
    1-propoxy-2-propanol 42.1
    1-methoxy-2-propyl acetate 54.81
    2-(2-methoxypropoxy) propanol 35.45
    mesitylene 5.73
    ε-caprolactone 153.0
    p-cymene 7.2
    epichlorohydrin 377.62
    1,1,1-trichloroethane 86.91
    2-aminoethanol 38.2
    morpholine-4-carbaldehyde 238.79
    sulfolane 331.97
    2,2,4-trimethylpentane 0.63
    2-methyltetrahydrofuran 131.77
    n-hexyl acetate 29.12
    isooctane 0.36
    2-(2-butoxyethoxy)ethanol 40.29
    sec-butyl acetate 25.74
    tert-butyl acetate 35.85
    decalin 1.0
    glycerin 55.12
    diglyme 74.22
    acrylic acid 69.58
    isopropyl myristate 10.01
    n-butyric acid 92.48
    acetyl acetate 52.1
    di(2-ethylhexyl) phthalate 22.22
    ethyl propionate 37.7
    nitromethane 219.31
    1,2-diethoxyethane 23.9
    benzonitrile 67.91
    trioctyl phosphate 14.52
    1-bromopropane 43.89
    gamma-valerolactone 393.22
    n-decanol 5.39
    triethyl phosphate 21.38
    4-methyl-2-pentanol 15.11
    propionitrile 50.79
    vinylene carbonate 133.56
    1,1,2-trichlorotrifluoroethane 196.04
    DMS 42.68
    cumene 7.05
    2-octanol 7.88
    2-hexanone 56.66
    octyl acetate 15.86
    limonene 9.48
    1,2-dimethoxyethane 105.7
    ethyl orthosilicate 17.79
    tributyl phosphate 16.35
    diacetone alcohol 64.07
    N,N-dimethylaniline 20.51
    acrylonitrile 82.06
    aniline 54.47
    1,3-propanediol 69.47
    bromobenzene 72.92
    dibromomethane 107.11
    1,1,2,2-tetrachloroethane 229.36
    2-methyl-cyclohexyl acetate 32.01
    tetrabutyl urea 26.99
    diisobutyl methanol 7.34
    2-phenylethanol 52.38
    styrene 14.52
    dioctyl adipate 19.59
    dimethyl sulfate 108.08
    ethyl butyrate 29.85
    methyl lactate 64.22
    butyl lactate 33.06
    diethyl carbonate 22.69
    propanediol butyl ether 30.2
    triethyl orthoformate 21.03
    p-tert-butyltoluene 5.9
    methyl 4-tert-butylbenzoate 36.1
    morpholine 148.28
    tert-butylamine 11.24
    n-dodecanol 4.1
    dimethoxymethane 131.67
    ethylene carbonate 99.91
    cyrene 75.66
    2-ethoxyethyl acetate 48.09
    2-ethylhexyl acetate 33.91
    1,2,4-trichlorobenzene 86.75
    4-methylpyridine 165.09
    dibutyl ether 5.67
    2,6-dimethyl-4-heptanol 7.34
    DEF 123.9
    dimethyl isosorbide 75.13
    tetrachloroethylene 118.49
    eugenol 46.4
    triacetin 30.94
    span 80 29.46
    1,4-butanediol 32.25
    1,1-dichloroethane 105.92
    2-methyl-1-pentanol 39.66
    methyl formate 123.97
    2-methyl-1-butanol 43.77
    n-decane 0.33
    butyronitrile 57.9
    3,7-dimethyl-1-octanol 8.37
    1-chlorooctane 3.44
    1-chlorotetradecane 1.69
    n-nonane 0.24
    undecane 0.28
    tert-butylcyclohexane 0.72
    cyclooctane 0.29
    cyclopentanol 70.13
    tetrahydropyran 83.11
    tert-amyl methyl ether 19.55
    2,5,8-trioxanonane 50.35
    1-hexene 4.49
    2-isopropoxyethanol 47.54
    2,2,2-trifluoroethanol 52.33
    methyl butyrate 59.39

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction