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

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

  • Molecular FormulaC12H12FN3O2
  • Average mass249.241 Da
  • Monoisotopic mass249.091354 Da
  • ChemSpider ID24600367

More details:

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

138907-70-7 [RN]
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(3-fluorophenyl)-, ethyl ester [ACD/Index Name]
5-Amino-1-(3-fluorophényl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-amino-1-(3-fluorphenyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
5-amino-1-(3-fluorophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester
5-Amino-1-(3-fluoro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
AGN-PC-07CWDO
atoms 18 bonds 19
BB_SC-7990
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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: 388.7±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.8±3.0 kJ/mol
    Flash Point: 188.9±25.1 °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: 3.61
    ACD/LogD (pH 5.5): 2.88
    ACD/BCF (pH 5.5): 91.07
    ACD/KOC (pH 5.5): 879.27
    ACD/LogD (pH 7.4): 2.88
    ACD/BCF (pH 7.4): 91.07
    ACD/KOC (pH 7.4): 879.29
    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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