ChemSpider 2D Image | N-(4-Aminobutyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide | C21H21Cl3N4O

N-(4-Aminobutyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide

  • Molecular FormulaC21H21Cl3N4O
  • Average mass451.777 Da
  • Monoisotopic mass450.078094 Da
  • ChemSpider ID58112667

More details:






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

1H-Pyrazole-3-carboxamide, N-(4-aminobutyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl- [ACD/Index Name]
N-(4-Aminobutyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
N-(4-Aminobutyl)-5-(4-chlorophényl)-1-(2,4-dichlorophényl)-4-méthyl-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
N-(4-Aminobutyl)-5-(4-chlorphenyl)-1-(2,4-dichlorphenyl)-4-methyl-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 597.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 315.4±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 118.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 7.27
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 4.97
ACD/KOC (pH 7.4): 19.11
Polar Surface Area: 73 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 326.3±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement