ChemSpider 2D Image | 5-tert-butyl-1-(3,4-difluorophenyl)-1H-pyrazole-3-carboxylic acid | C14H14F2N2O2

5-tert-butyl-1-(3,4-difluorophenyl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC14H14F2N2O2
  • Average mass280.270 Da
  • Monoisotopic mass280.102325 Da
  • ChemSpider ID23362645

More details:

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

1-(3,4-Difluorophenyl)-5-(2-methyl-2-propanyl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
1-(3,4-Difluorphenyl)-5-(2-methyl-2-propanyl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
1H-Pyrazole-3-carboxylic acid, 1-(3,4-difluorophenyl)-5-(1,1-dimethylethyl)- [ACD/Index Name]
5-tert-butyl-1-(3,4-difluorophenyl)-1H-pyrazole-3-carboxylic acid
Acide 1-(3,4-difluorophényl)-5-(2-méthyl-2-propanyl)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
1-(3,4-difluorophenyl)-5-(tert-butyl)pyrazole-3-carboxylic acid
1189749-51-6 [RN]
5-(tert-butyl)-1-(3,4-difluorophenyl)-1H-pyrazole-3-carboxylic acid
5-tert-Butyl-1-(3,4-difluoro-phenyl)-1H-pyrazole-3-carboxylic acid
5-tert-butyl-1-(3,4-difluorophenyl)pyrazole-3-carboxylic acid
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 398.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.5±3.0 kJ/mol
    Flash Point: 195.1±27.9 °C
    Index of Refraction: 1.554
    Molar Refractivity: 70.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.29
    ACD/LogD (pH 5.5): 1.90
    ACD/BCF (pH 5.5): 7.06
    ACD/KOC (pH 5.5): 51.80
    ACD/LogD (pH 7.4): 0.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.90
    Polar Surface Area: 55 Å2
    Polarizability: 27.9±0.5 10-24cm3
    Surface Tension: 37.4±7.0 dyne/cm
    Molar Volume: 219.6±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement