2-(4-Methylphenoxy)-N-(1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide

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  • Identifiers

    CAS number
    1374760-95-8

    Molecular formula
    C17H17N3O2S

    SMILES
    CC1=CC=C(C=C1)OCC(=O)N(CC2=CC=CS2)C3=CC=NN3

    Safety labels

  • Odor profile

    Fragrance
    Fruity 45.65%
    Roasted 41.56%
    Meaty 37.82%
    Cooked 36.03%
    Savory 33.58%
    Odorless 29.05%
    Burnt 27.03%
    Nutty 26.57%
    Grape 24.37%
    Fatty 23.34%

     

    Flavor
    Bitter 64.36%
    Odorless 31.33%
    Bland 22.53%
    Mild 20.32%
    Sweet-like 20.24%
    Bread crust 19.81%
    Scallion 19.63%
    Fruity 19.61%
    Roasted peanuts 19.56%
    Roasted 19.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.39 (neutral)

    Molecular weight
    327.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    666°C

    Flash point

    • 219.65 ˚C est.

    Solubility expt.

    • Slightly soluble at pH 2.8
    • Soluble (in ethanol)

  • Synonyms

    • Acetamide, 2-(4-methylphenoxy)-N-1H-pyrazol-3-yl-N-(2-thienylmethyl)-
    • Fema No. 4809
    • OW22Q34GIJ
    • DTXSID501019712
    • N-(1H-Pyrazol-5-yl)-N-(thiophen-2-ylmethyl)-2-(p-tolyloxy)acetamide
    • 2-(4-Methylphenoxy)-N-(1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
    • 2-(4-Methylphenoxy)-N-1H-pyrazol-3-yl-N-(2-thienylmethyl)acetamide
    • RefChem:458096
    • DTXCID901477627
    • 1374760-95-8
    • FEMA 4809
    • UNII-OW22Q34GIJ
    • CHEMBL4087522
    • orb1700617
    • SCHEMBL2729241
    • SCHEMBL6402138
    • FEMA-4809
    • QGDQESUNCJQMSA-UHFFFAOYSA-N
    • BDBM50268769
    • 2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide
    • AKOS040748345
    • DA-53146
    • MS-24895
    • HY-130074
    • CS-0104783
    • 2-(4-methylphenoxy)-N-(1H-pyrazol-3-yl)-N-[(thiophen-2-yl)methyl]acetamide
    • 1374760-95-8

  • Applications

    2-(4-Methylphenoxy)-N-(1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CAS 1374760-95-8) is primarily used as a synthetic building block in the development of heterocyclic small molecules. In practice, it is commonly evaluated as an intermediate for pharmaceutical and agrochemical research, enabling access to diversified pyrazole- and thiophene-containing compounds. It may also serve as a precursor in organic synthesis for catalysts or functional materials, including coatings or adhesives, and can be viewed as a linking unit in polymer chemistry to tune properties. As with many specialized amide candidates, actual applications depend on formulation and regulatory constraints, and should be pursued within appropriate local guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.16
    methanol 31.97
    isopropanol 13.27
    water 0.15
    ethyl acetate 27.36
    n-propanol 16.51
    acetone 57.56
    n-butanol 15.19
    acetonitrile 32.51
    DMF 98.62
    toluene 10.02
    isobutanol 11.14
    1,4-dioxane 40.13
    methyl acetate 47.21
    THF 119.4
    2-butanone 69.44
    n-pentanol 17.98
    sec-butanol 15.32
    n-hexane 0.13
    ethylene glycol 16.63
    NMP 32.73
    cyclohexane 0.37
    DMSO 147.6
    n-butyl acetate 12.15
    n-octanol 6.71
    chloroform 85.56
    n-propyl acetate 20.32
    acetic acid 46.6
    dichloromethane 93.35
    cyclohexanone 48.98
    propylene glycol 30.83
    isopropyl acetate 14.96
    DMAc 259.19
    2-ethoxyethanol 75.81
    isopentanol 13.66
    n-heptane 0.36
    ethyl formate 24.11
    1,2-dichloroethane 46.18
    n-hexanol 9.82
    2-methoxyethanol 96.16
    isobutyl acetate 13.59
    tetrachloromethane 2.8
    n-pentyl acetate 10.87
    transcutol 143.42
    n-heptanol 7.45
    ethylbenzene 4.89
    MIBK 18.2
    2-propoxyethanol 45.56
    tert-butanol 12.12
    MTBE 8.0
    2-butoxyethanol 28.21
    propionic acid 26.44
    o-xylene 5.58
    formic acid 29.76
    diethyl ether 7.32
    m-xylene 4.84
    p-xylene 7.41
    chlorobenzene 17.33
    dimethyl carbonate 27.06
    n-octane 0.23
    formamide 56.48
    cyclopentanone 56.72
    2-pentanone 31.84
    anisole 22.52
    cyclopentyl methyl ether 16.21
    gamma-butyrolactone 46.7
    1-methoxy-2-propanol 69.42
    pyridine 63.83
    3-pentanone 31.96
    furfural 62.94
    n-dodecane 0.36
    diethylene glycol 45.85
    diisopropyl ether 1.67
    tert-amyl alcohol 12.42
    acetylacetone 44.29
    n-hexadecane 0.42
    acetophenone 30.95
    methyl propionate 35.52
    isopentyl acetate 13.55
    trichloroethylene 113.24
    n-nonanol 7.83
    cyclohexanol 13.01
    benzyl alcohol 30.86
    2-ethylhexanol 6.47
    isooctanol 6.77
    dipropyl ether 6.42
    1,2-dichlorobenzene 17.01
    ethyl lactate 19.73
    propylene carbonate 27.26
    n-methylformamide 39.92
    2-pentanol 8.76
    n-pentane 0.13
    1-propoxy-2-propanol 27.51
    1-methoxy-2-propyl acetate 25.4
    2-(2-methoxypropoxy) propanol 37.29
    mesitylene 2.34
    ε-caprolactone 33.36
    p-cymene 3.8
    epichlorohydrin 100.59
    1,1,1-trichloroethane 21.78
    2-aminoethanol 26.45
    morpholine-4-carbaldehyde 70.15
    sulfolane 46.86
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 27.06
    n-hexyl acetate 13.29
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 46.75
    sec-butyl acetate 13.46
    tert-butyl acetate 13.22
    decalin 0.38
    glycerin 45.91
    diglyme 91.04
    acrylic acid 30.69
    isopropyl myristate 7.3
    n-butyric acid 26.57
    acetyl acetate 18.46
    di(2-ethylhexyl) phthalate 11.88
    ethyl propionate 18.88
    nitromethane 99.73
    1,2-diethoxyethane 26.2
    benzonitrile 27.03
    trioctyl phosphate 6.74
    1-bromopropane 11.62
    gamma-valerolactone 78.33
    n-decanol 6.24
    triethyl phosphate 9.95
    4-methyl-2-pentanol 5.54
    propionitrile 29.35
    vinylene carbonate 31.33
    1,1,2-trichlorotrifluoroethane 81.37
    DMS 17.47
    cumene 3.35
    2-octanol 4.89
    2-hexanone 28.48
    octyl acetate 9.86
    limonene 4.48
    1,2-dimethoxyethane 87.87
    ethyl orthosilicate 9.27
    tributyl phosphate 8.22
    diacetone alcohol 29.46
    N,N-dimethylaniline 15.97
    acrylonitrile 45.72
    aniline 23.52
    1,3-propanediol 37.36
    bromobenzene 14.87
    dibromomethane 36.8
    1,1,2,2-tetrachloroethane 77.06
    2-methyl-cyclohexyl acetate 13.84
    tetrabutyl urea 15.81
    diisobutyl methanol 3.92
    2-phenylethanol 20.79
    styrene 7.33
    dioctyl adipate 14.75
    dimethyl sulfate 37.72
    ethyl butyrate 13.17
    methyl lactate 30.62
    butyl lactate 15.76
    diethyl carbonate 11.34
    propanediol butyl ether 26.95
    triethyl orthoformate 11.87
    p-tert-butyltoluene 3.28
    methyl 4-tert-butylbenzoate 22.11
    morpholine 60.76
    tert-butylamine 4.02
    n-dodecanol 4.8
    dimethoxymethane 80.04
    ethylene carbonate 24.0
    cyrene 40.11
    2-ethoxyethyl acetate 23.88
    2-ethylhexyl acetate 9.92
    1,2,4-trichlorobenzene 24.75
    4-methylpyridine 39.46
    dibutyl ether 7.5
    2,6-dimethyl-4-heptanol 3.92
    DEF 40.7
    dimethyl isosorbide 48.08
    tetrachloroethylene 35.61
    eugenol 29.71
    triacetin 25.21
    span 80 22.76
    1,4-butanediol 23.57
    1,1-dichloroethane 33.43
    2-methyl-1-pentanol 15.89
    methyl formate 34.84
    2-methyl-1-butanol 12.57
    n-decane 0.49
    butyronitrile 21.75
    3,7-dimethyl-1-octanol 7.58
    1-chlorooctane 2.85
    1-chlorotetradecane 1.56
    n-nonane 0.36
    undecane 0.41
    tert-butylcyclohexane 0.3
    cyclooctane 0.16
    cyclopentanol 15.59
    tetrahydropyran 26.78
    tert-amyl methyl ether 8.84
    2,5,8-trioxanonane 68.53
    1-hexene 1.41
    2-isopropoxyethanol 39.36
    2,2,2-trifluoroethanol 20.68
    methyl butyrate 27.93

    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