ChemSpider 2D Image | Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate | C12H12FN3O2

Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate

  • Molecular FormulaC12H12FN3O2
  • Average mass249.241 Da
  • Monoisotopic mass249.091354 Da
  • ChemSpider ID24745994

More details:

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

1264046-99-2 [RN]
1H-Pyrazole-3-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester [ACD/Index Name]
5-Amino-1-(4-fluorophényl)-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-amino-1-(4-fluorphenyl)-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
atoms 18 bonds 19
DS-6683
ethyl 5-amino-1-(4-fluorophenyl)pyrazole-3-carboxylate
ETHYL-5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
MFCD07388410

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

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 407.3±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.9±3.0 kJ/mol
    Flash Point: 200.1±25.9 °C
    Index of Refraction: 1.596
    Molar Refractivity: 63.6±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.96
    ACD/LogD (pH 5.5): 1.76
    ACD/BCF (pH 5.5): 12.90
    ACD/KOC (pH 5.5): 217.10
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 12.90
    ACD/KOC (pH 7.4): 217.11
    Polar Surface Area: 70 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 46.0±7.0 dyne/cm
    Molar Volume: 186.9±7.0 cm3

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