ChemSpider 2D Image | Ethyl 5-amino-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate | C14H17N3O3

Ethyl 5-amino-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC14H17N3O3
  • Average mass275.303 Da
  • Monoisotopic mass275.126984 Da
  • ChemSpider ID13187295

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrazole-4-carboxylic acid, 5-amino-1-[(4-methoxyphenyl)methyl]-, ethyl ester [ACD/Index Name]
384835-92-1 [RN]
5-Amino-1-(4-méthoxybenzyl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-amino-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-amino-1-(4-methoxybenzyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 5-amino-1-[(4-methoxyphenyl)methyl]-,ethyl ester
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylate
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
MFCD16631856

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 460.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±3.0 kJ/mol
    Flash Point: 232.1±27.3 °C
    Index of Refraction: 1.583
    Molar Refractivity: 74.2±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.14
    ACD/LogD (pH 5.5): 2.83
    ACD/BCF (pH 5.5): 83.43
    ACD/KOC (pH 5.5): 825.75
    ACD/LogD (pH 7.4): 2.83
    ACD/BCF (pH 7.4): 83.45
    ACD/KOC (pH 7.4): 826.01
    Polar Surface Area: 79 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 45.3±7.0 dyne/cm
    Molar Volume: 221.8±7.0 cm3

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