N-Isopropyl 4,5-diamino pyrazole sulfate

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  • Identifiers

    CAS number
    173994-78-0

    Molecular formula
    C6H14N4O4S

    SMILES
    CC(C)N1C(=C(C=N1)N)N.OS(=O)(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 46.58%
    Roasted 33.45%
    Fishy 31.59%
    Nutty 31.54%
    Cocoa 28.02%
    Burnt 28.0%
    Musty 23.66%
    Meaty 23.42%
    Earthy 22.14%
    Chocolate 21.22%

     

    Flavor
    Bitter 41.26%
    Roasted 33.18%
    Odorless 27.01%
    Meaty 24.76%
    Mild 23.56%
    Cocoa 21.9%
    Earthy 21.87%
    Soybean 21.47%
    Green pepper 21.28%
    Musty 21.28%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.07 (weak acid)

    Molecular weight
    238.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 147.28 ˚C est.

  • Synonyms

    • N-ISOPROPYL 4,5-DIAMINO PYRAZOLE SULFATE
    • UNII-YCP4CS0W03
    • YCP4CS0W03
    • 173994-78-0
    • 4,5-Diamino-1-isopropyl-1H-pyrazole sulfate
    • 1H-Pyrazole-4,5-diamine, 1-(1-methylethyl)-, sulfate (1:1)
    • DTXSID70169739
    • RefChem:163613
    • DTXCID1092230
    • N-ISOPROPYL 4,5-DIAMINO PYRAZOLE SULFATE [INCI]
    • SCHEMBL2921878
    • 4,5-diamino-1-isopropyl-pyrazole sulfate
    • Q27294457
    • Sulfuric acid--1-(propan-2-yl)-1H-pyrazole-4,5-diamine (1/1)
    • 173994-78-0

  • Applications

    N-Isopropyl 4,5-diamino pyrazole sulfate (CAS 173994-78-0) is used as a building block for nitrogen-rich heterocycles in industrial chemistry. It serves as an intermediate for pharmaceutical and agrochemical candidates, enabling the construction of functionalized pyrazole scaffolds. It is also evaluated as a precursor for dyes or coating additives and as a reactive amine building block in polymer formulations and specialty coatings. In coordination chemistry and materials science, the sulfate salt can act as a ligand or a source of amine functionality for catalysts or advanced materials. The sulfate form improves handling, solubility, and formulation compatibility, and its use is subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 50.13
    methanol 124.71
    isopropanol 24.9
    water 48.02
    ethyl acetate 10.55
    n-propanol 29.57
    acetone 32.6
    n-butanol 23.87
    acetonitrile 26.64
    DMF 43.1
    toluene 3.64
    isobutanol 23.81
    1,4-dioxane 28.36
    methyl acetate 15.11
    THF 67.92
    2-butanone 20.31
    n-pentanol 20.93
    sec-butanol 20.14
    n-hexane 0.55
    ethylene glycol 48.25
    NMP 64.16
    cyclohexane 0.37
    DMSO 145.81
    n-butyl acetate 14.97
    n-octanol 8.76
    chloroform 27.18
    n-propyl acetate 7.91
    acetic acid 88.97
    dichloromethane 32.0
    cyclohexanone 27.36
    propylene glycol 40.91
    isopropyl acetate 7.07
    DMAc 51.38
    2-ethoxyethanol 50.71
    isopentanol 21.82
    n-heptane 0.73
    ethyl formate 26.88
    1,2-dichloroethane 16.69
    n-hexanol 19.31
    2-methoxyethanol 82.7
    isobutyl acetate 7.02
    tetrachloromethane 7.11
    n-pentyl acetate 11.9
    transcutol 38.39
    n-heptanol 12.51
    ethylbenzene 2.29
    MIBK 10.56
    2-propoxyethanol 49.08
    tert-butanol 27.31
    MTBE 11.76
    2-butoxyethanol 30.16
    propionic acid 30.3
    o-xylene 4.11
    formic acid 140.86
    diethyl ether 6.85
    m-xylene 4.09
    p-xylene 4.07
    chlorobenzene 10.92
    dimethyl carbonate 7.97
    n-octane 0.46
    formamide 81.89
    cyclopentanone 49.83
    2-pentanone 13.64
    anisole 8.44
    cyclopentyl methyl ether 15.18
    gamma-butyrolactone 67.1
    1-methoxy-2-propanol 37.77
    pyridine 20.73
    3-pentanone 9.23
    furfural 85.08
    n-dodecane 0.44
    diethylene glycol 62.71
    diisopropyl ether 2.56
    tert-amyl alcohol 24.34
    acetylacetone 19.21
    n-hexadecane 0.49
    acetophenone 12.36
    methyl propionate 10.42
    isopentyl acetate 16.13
    trichloroethylene 34.36
    n-nonanol 7.93
    cyclohexanol 13.17
    benzyl alcohol 16.41
    2-ethylhexanol 11.02
    isooctanol 10.7
    dipropyl ether 5.38
    1,2-dichlorobenzene 12.25
    ethyl lactate 12.4
    propylene carbonate 36.09
    n-methylformamide 45.64
    2-pentanol 11.04
    n-pentane 0.58
    1-propoxy-2-propanol 28.27
    1-methoxy-2-propyl acetate 17.6
    2-(2-methoxypropoxy) propanol 21.63
    mesitylene 2.84
    ε-caprolactone 26.64
    p-cymene 4.2
    epichlorohydrin 58.83
    1,1,1-trichloroethane 14.23
    2-aminoethanol 52.74
    morpholine-4-carbaldehyde 53.07
    sulfolane 99.65
    2,2,4-trimethylpentane 0.85
    2-methyltetrahydrofuran 32.19
    n-hexyl acetate 12.05
    isooctane 0.56
    2-(2-butoxyethoxy)ethanol 23.52
    sec-butyl acetate 5.31
    tert-butyl acetate 10.07
    decalin 0.58
    glycerin 67.54
    diglyme 38.51
    acrylic acid 37.99
    isopropyl myristate 5.04
    n-butyric acid 35.36
    acetyl acetate 9.85
    di(2-ethylhexyl) phthalate 12.73
    ethyl propionate 5.92
    nitromethane 85.44
    1,2-diethoxyethane 11.33
    benzonitrile 18.23
    trioctyl phosphate 9.11
    1-bromopropane 7.11
    gamma-valerolactone 69.48
    n-decanol 5.99
    triethyl phosphate 8.77
    4-methyl-2-pentanol 8.79
    propionitrile 14.38
    vinylene carbonate 34.25
    1,1,2-trichlorotrifluoroethane 60.78
    DMS 10.84
    cumene 2.74
    2-octanol 7.58
    2-hexanone 10.4
    octyl acetate 7.56
    limonene 5.35
    1,2-dimethoxyethane 39.56
    ethyl orthosilicate 8.15
    tributyl phosphate 9.44
    diacetone alcohol 21.73
    N,N-dimethylaniline 7.41
    acrylonitrile 22.98
    aniline 11.92
    1,3-propanediol 52.45
    bromobenzene 8.77
    dibromomethane 16.29
    1,1,2,2-tetrachloroethane 27.82
    2-methyl-cyclohexyl acetate 11.81
    tetrabutyl urea 11.66
    diisobutyl methanol 6.26
    2-phenylethanol 18.41
    styrene 2.56
    dioctyl adipate 8.53
    dimethyl sulfate 23.44
    ethyl butyrate 8.93
    methyl lactate 17.92
    butyl lactate 16.59
    diethyl carbonate 7.57
    propanediol butyl ether 24.31
    triethyl orthoformate 8.93
    p-tert-butyltoluene 4.14
    methyl 4-tert-butylbenzoate 17.59
    morpholine 30.58
    tert-butylamine 11.65
    n-dodecanol 4.43
    dimethoxymethane 24.86
    ethylene carbonate 25.33
    cyrene 32.14
    2-ethoxyethyl acetate 16.68
    2-ethylhexyl acetate 11.6
    1,2,4-trichlorobenzene 16.57
    4-methylpyridine 18.52
    dibutyl ether 4.24
    2,6-dimethyl-4-heptanol 6.26
    DEF 13.45
    dimethyl isosorbide 35.69
    tetrachloroethylene 20.83
    eugenol 20.6
    triacetin 14.38
    span 80 19.76
    1,4-butanediol 33.44
    1,1-dichloroethane 12.69
    2-methyl-1-pentanol 19.52
    methyl formate 45.08
    2-methyl-1-butanol 22.18
    n-decane 0.67
    butyronitrile 16.91
    3,7-dimethyl-1-octanol 9.04
    1-chlorooctane 3.34
    1-chlorotetradecane 1.42
    n-nonane 0.58
    undecane 0.53
    tert-butylcyclohexane 0.76
    cyclooctane 0.24
    cyclopentanol 23.71
    tetrahydropyran 13.94
    tert-amyl methyl ether 9.77
    2,5,8-trioxanonane 28.86
    1-hexene 2.02
    2-isopropoxyethanol 26.65
    2,2,2-trifluoroethanol 48.0
    methyl butyrate 10.39

    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