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

Ethyl 5-amino-1-(2-fluorophenyl)-1H-pyrazole-3-carboxylate

  • Molecular FormulaC12H12FN3O2
  • Average mass249.241 Da
  • Monoisotopic mass249.091354 Da
  • ChemSpider ID25070008

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

1H-Pyrazole-3-carboxylic acid, 5-amino-1-(2-fluorophenyl)-, ethyl ester [ACD/Index Name]
304874-05-3 [RN]
5-Amino-1-(2-fluorophényl)-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-amino-1-(2-fluorophenyl)-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-amino-1-(2-fluorphenyl)-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
1-(Benzo[b]thiophen-7-yl)ethanone
5-amino-1-(2-fluorophenyl)-1H-Pyrazole-3-carboxylic acid ethyl ester
atoms 18 bonds 19
ethyl 5-amino-1-(2-fluorophenyl)pyrazole-3-carboxylate
ethyl5-amino-1-(2-fluorophenyl)-1H-pyrazole-3-carboxylate
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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: 414.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.7±3.0 kJ/mol
    Flash Point: 204.2±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: 2.31
    ACD/LogD (pH 5.5): 1.85
    ACD/BCF (pH 5.5): 15.09
    ACD/KOC (pH 5.5): 242.85
    ACD/LogD (pH 7.4): 1.85
    ACD/BCF (pH 7.4): 15.09
    ACD/KOC (pH 7.4): 242.85
    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

    Click to predict properties on the Chemicalize site


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