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 89.54%
    Savory 17.72%
    Roasted 16.15%
    Cooked 15.41%
    Meaty 13.03%
    Bitter 12.27%
    Cooling 11.37%
    Popcorn 10.37%
    Milky 10.36%
    Pungent 9.92%

     

    Flavor
    Bitter 72.85%
    Odorless 38.35%
    Mild 25.72%
    Bland 25.22%
    Nitrile 20.31%
    Roasted peanuts 19.61%
    Bread crust 19.56%
    Formyl 19.48%
    Cedarleaf 19.16%
    Taco 19.12%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    -238776.94 (strong acid)

    Molecular weight
    238.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    476°C

    Flash point

    • 170.13 ˚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 2.0
    methanol 5.88
    isopropanol 0.82
    water 39.05
    ethyl acetate 0.28
    n-propanol 1.09
    acetone 2.5
    n-butanol 0.89
    acetonitrile 0.81
    DMF 9.45
    toluene 0.14
    isobutanol 0.7
    1,4-dioxane 0.72
    methyl acetate 0.4
    THF 3.48
    2-butanone 1.17
    n-pentanol 0.59
    sec-butanol 0.67
    n-hexane 0.06
    ethylene glycol 8.22
    NMP 19.44
    cyclohexane 0.05
    DMSO 57.37
    n-butyl acetate 0.56
    n-octanol 0.41
    chloroform 0.3
    n-propyl acetate 0.31
    acetic acid 4.98
    dichloromethane 0.56
    cyclohexanone 1.52
    propylene glycol 4.81
    isopropyl acetate 0.24
    DMAc 13.47
    2-ethoxyethanol 5.15
    isopentanol 0.73
    n-heptane 0.08
    ethyl formate 1.3
    1,2-dichloroethane 0.51
    n-hexanol 0.8
    2-methoxyethanol 12.46
    isobutyl acetate 0.19
    tetrachloromethane 0.21
    n-pentyl acetate 0.57
    transcutol 3.25
    n-heptanol 0.85
    ethylbenzene 0.09
    MIBK 0.65
    2-propoxyethanol 5.5
    tert-butanol 0.95
    MTBE 0.2
    2-butoxyethanol 3.35
    propionic acid 1.59
    o-xylene 0.22
    formic acid 24.94
    diethyl ether 0.32
    m-xylene 0.19
    p-xylene 0.17
    chlorobenzene 0.14
    dimethyl carbonate 0.5
    n-octane 0.04
    formamide 21.11
    cyclopentanone 4.52
    2-pentanone 0.93
    anisole 0.25
    cyclopentyl methyl ether 0.76
    gamma-butyrolactone 4.77
    1-methoxy-2-propanol 4.87
    pyridine 0.81
    3-pentanone 0.7
    furfural 7.44
    n-dodecane 0.02
    diethylene glycol 11.34
    diisopropyl ether 0.1
    tert-amyl alcohol 0.87
    acetylacetone 1.27
    n-hexadecane 0.02
    acetophenone 0.61
    methyl propionate 0.52
    isopentyl acetate 0.54
    trichloroethylene 0.64
    n-nonanol 0.43
    cyclohexanol 0.49
    benzyl alcohol 0.67
    2-ethylhexanol 0.45
    isooctanol 0.62
    dipropyl ether 0.46
    1,2-dichlorobenzene 0.23
    ethyl lactate 1.06
    propylene carbonate 1.56
    n-methylformamide 5.9
    2-pentanol 0.41
    n-pentane 0.06
    1-propoxy-2-propanol 2.92
    1-methoxy-2-propyl acetate 1.0
    2-(2-methoxypropoxy) propanol 2.84
    mesitylene 0.15
    ε-caprolactone 1.35
    p-cymene 0.23
    epichlorohydrin 3.02
    1,1,1-trichloroethane 0.22
    2-aminoethanol 6.89
    morpholine-4-carbaldehyde 8.01
    sulfolane 18.34
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 1.01
    n-hexyl acetate 0.48
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 2.96
    sec-butyl acetate 0.16
    tert-butyl acetate 0.37
    decalin 0.02
    glycerin 17.5
    diglyme 4.32
    acrylic acid 2.61
    isopropyl myristate 0.19
    n-butyric acid 1.46
    acetyl acetate 0.26
    di(2-ethylhexyl) phthalate 0.79
    ethyl propionate 0.27
    nitromethane 5.81
    1,2-diethoxyethane 0.51
    benzonitrile 0.51
    trioctyl phosphate 0.54
    1-bromopropane 0.24
    gamma-valerolactone 7.47
    n-decanol 0.31
    triethyl phosphate 0.54
    4-methyl-2-pentanol 0.29
    propionitrile 0.46
    vinylene carbonate 1.22
    1,1,2-trichlorotrifluoroethane 7.29
    DMS 0.44
    cumene 0.13
    2-octanol 0.41
    2-hexanone 0.6
    octyl acetate 0.31
    limonene 0.24
    1,2-dimethoxyethane 3.44
    ethyl orthosilicate 0.47
    tributyl phosphate 0.48
    diacetone alcohol 1.96
    N,N-dimethylaniline 0.4
    acrylonitrile 0.87
    aniline 0.49
    1,3-propanediol 5.2
    bromobenzene 0.11
    dibromomethane 0.37
    1,1,2,2-tetrachloroethane 0.69
    2-methyl-cyclohexyl acetate 0.64
    tetrabutyl urea 0.99
    diisobutyl methanol 0.28
    2-phenylethanol 0.9
    styrene 0.07
    dioctyl adipate 0.35
    dimethyl sulfate 2.56
    ethyl butyrate 0.46
    methyl lactate 2.16
    butyl lactate 1.63
    diethyl carbonate 0.3
    propanediol butyl ether 2.93
    triethyl orthoformate 0.5
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 1.63
    morpholine 1.18
    tert-butylamine 0.33
    n-dodecanol 0.21
    dimethoxymethane 3.15
    ethylene carbonate 0.74
    cyrene 5.77
    2-ethoxyethyl acetate 0.89
    2-ethylhexyl acetate 0.43
    1,2,4-trichlorobenzene 0.3
    4-methylpyridine 0.66
    dibutyl ether 0.19
    2,6-dimethyl-4-heptanol 0.28
    DEF 1.4
    dimethyl isosorbide 4.71
    tetrachloroethylene 0.71
    eugenol 2.69
    triacetin 0.84
    span 80 1.99
    1,4-butanediol 2.51
    1,1-dichloroethane 0.2
    2-methyl-1-pentanol 0.54
    methyl formate 4.39
    2-methyl-1-butanol 0.76
    n-decane 0.04
    butyronitrile 0.52
    3,7-dimethyl-1-octanol 0.32
    1-chlorooctane 0.13
    1-chlorotetradecane 0.05
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.12
    tetrahydropyran 0.33
    tert-amyl methyl ether 0.33
    2,5,8-trioxanonane 3.83
    1-hexene 0.13
    2-isopropoxyethanol 2.01
    2,2,2-trifluoroethanol 4.35
    methyl butyrate 0.45

    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