ChemSpider 2D Image | 1-(2-Chloro-6-fluorobenzyl)-5-isobutyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide | C22H29ClFN3O

1-(2-Chloro-6-fluorobenzyl)-5-isobutyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide

  • Molecular FormulaC22H29ClFN3O
  • Average mass405.937 Da
  • Monoisotopic mass405.198303 Da
  • ChemSpider ID67461548

More details:

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

1-(2-Chlor-6-fluorbenzyl)-5-isobutyl-N-(2-methylcyclohexyl)-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
1-(2-Chloro-6-fluorobenzyl)-5-isobutyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
1-(2-Chloro-6-fluorobenzyl)-5-isobutyl-N-(2-méthylcyclohexyl)-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
1H-Pyrazole-3-carboxamide, 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylcyclohexyl)-5-(2-methylpropyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 551.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 287.1±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 111.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8697.80
ACD/KOC (pH 5.5): 22983.66
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8697.82
ACD/KOC (pH 7.4): 22983.71
Polar Surface Area: 47 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 328.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement