ChemSpider 2D Image | N-[4-(4-Bromophenyl)-2-butanyl]-1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide | C22H23BrFN3O

N-[4-(4-Bromophenyl)-2-butanyl]-1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC22H23BrFN3O
  • Average mass444.340 Da
  • Monoisotopic mass443.100861 Da
  • ChemSpider ID30496022

More details:

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

1H-Pyrazole-4-carboxamide, N-[3-(4-bromophenyl)-1-methylpropyl]-1-(4-fluorophenyl)-3,5-dimethyl- [ACD/Index Name]
N-[4-(4-Bromophenyl)-2-butanyl]-1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-[4-(4-Bromophényl)-2-butanyl]-1-(4-fluorophényl)-3,5-diméthyl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
N-[4-(4-Bromphenyl)-2-butanyl]-1-(4-fluorphenyl)-3,5-dimethyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 545.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.7±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 114.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7533.00
ACD/KOC (pH 5.5): 20735.88
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7524.19
ACD/KOC (pH 7.4): 20711.64
Polar Surface Area: 47 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 331.4±7.0 cm3

Click to predict properties on the Chemicalize site


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