ChemSpider 2D Image | ethyl 5-amino-4-cyano-1-(3-methoxyphenyl)pyrazole-3-carboxylate | C14H14N4O3

ethyl 5-amino-4-cyano-1-(3-methoxyphenyl)pyrazole-3-carboxylate

  • Molecular FormulaC14H14N4O3
  • Average mass286.286 Da
  • Monoisotopic mass286.106598 Da
  • ChemSpider ID28293780

More details:

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

1150164-14-9 [RN]
1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-(3-methoxyphenyl)-, ethyl ester [ACD/Index Name]
5-Amino-4-cyano-1-(3-méthoxyphényl)-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-amino-4-cyano-1-(3-methoxyphenyl)-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
ethyl 5-amino-4-cyano-1-(3-methoxyphenyl)pyrazole-3-carboxylate
Ethyl-5-amino-4-cyan-1-(3-methoxyphenyl)-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
[1150164-14-9] [RN]
ethyl-5-amino-4-cyano-1-(3-methoxyphenyl)pyrazole-3-carboxylate
HC-2395
MFCD09835750

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 524.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.9±3.0 kJ/mol
    Flash Point: 271.2±30.1 °C
    Index of Refraction: 1.613
    Molar Refractivity: 76.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.25
    ACD/LogD (pH 5.5): 1.57
    ACD/BCF (pH 5.5): 9.23
    ACD/KOC (pH 5.5): 170.83
    ACD/LogD (pH 7.4): 1.57
    ACD/BCF (pH 7.4): 9.23
    ACD/KOC (pH 7.4): 170.83
    Polar Surface Area: 103 Å2
    Polarizability: 30.2±0.5 10-24cm3
    Surface Tension: 50.4±7.0 dyne/cm
    Molar Volume: 218.6±7.0 cm3

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