ChemSpider 2D Image | 5-(2-Chloro-1H-pyrrol-1-yl)-N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide | C21H21Cl3N4O

5-(2-Chloro-1H-pyrrol-1-yl)-N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide

  • Molecular FormulaC21H21Cl3N4O
  • Average mass451.777 Da
  • Monoisotopic mass450.078094 Da
  • ChemSpider ID28486428

More details:






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

1H-Pyrazole-3-carboxamide, 5-(2-chloro-1H-pyrrol-1-yl)-N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl- [ACD/Index Name]
5-(2-Chlor-1H-pyrrol-1-yl)-N-cyclohexyl-1-(3,4-dichlorphenyl)-4-methyl-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
5-(2-Chloro-1H-pyrrol-1-yl)-N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
5-(2-Chloro-1H-pyrrol-1-yl)-N-cyclohexyl-1-(3,4-dichlorophényl)-4-méthyl-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 602.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.4±31.5 °C
Index of Refraction: 1.679
Molar Refractivity: 117.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3397.02
ACD/KOC (pH 5.5): 11465.75
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 515.52
ACD/KOC (pH 7.4): 1739.99
Polar Surface Area: 52 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 311.8±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement