ChemSpider 2D Image | 1-[4-(2-Methyl-2-propanyl)benzyl]-3-phenyl-1H-pyrazole-5-carboxylic acid | C21H22N2O2

1-[4-(2-Methyl-2-propanyl)benzyl]-3-phenyl-1H-pyrazole-5-carboxylic acid

  • Molecular FormulaC21H22N2O2
  • Average mass334.412 Da
  • Monoisotopic mass334.168121 Da
  • ChemSpider ID24742343

More details:

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

1-[4-(2-Methyl-2-propanyl)benzyl]-3-phenyl-1H-pyrazol-5-carbonsäure [German] [ACD/IUPAC Name]
1-[4-(2-Methyl-2-propanyl)benzyl]-3-phenyl-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazole-5-carboxylic acid, 1-[[4-(1,1-dimethylethyl)phenyl]methyl]-3-phenyl- [ACD/Index Name]
Acide 1-[4-(2-méthyl-2-propanyl)benzyl]-3-phényl-1H-pyrazole-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 538.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.5±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 82.14
ACD/KOC (pH 5.5): 229.11
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 6.07
ACD/KOC (pH 7.4): 16.93
Polar Surface Area: 55 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 297.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement