ChemSpider 2D Image | N-(1-Azepanyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazole-4-carboxamide | C22H21Cl3N4O

N-(1-Azepanyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC22H21Cl3N4O
  • Average mass463.787 Da
  • Monoisotopic mass462.078094 Da
  • ChemSpider ID23334048

More details:

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

1H-Pyrazole-4-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(hexahydro-1H-azepin-1-yl)- [ACD/Index Name]
N-(1-Azepanyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-(1-Azépanyl)-5-(4-chlorophényl)-1-(2,4-dichlorophényl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
N-(1-Azepanyl)-5-(4-chlorphenyl)-1-(2,4-dichlorphenyl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL455167/
N-(azepan-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazole-4-carboxamide
N-Azepan-1-yl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazole-4-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 122.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9451.36
ACD/KOC (pH 5.5): 24340.38
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9520.20
ACD/KOC (pH 7.4): 24517.64
Polar Surface Area: 50 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 328.7±7.0 cm3

Click to predict properties on the Chemicalize site


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