ChemSpider 2D Image | 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-methyl-pyrazole-3-carboxamide | C21H21Cl3N4O

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-methyl-pyrazole-3-carboxamide

  • Molecular FormulaC21H21Cl3N4O
  • Average mass451.777 Da
  • Monoisotopic mass450.078094 Da
  • ChemSpider ID23114674

More details:

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

5-(4-Chlorophényl)-1-(2,4-dichlorophényl)-N-[2-(diméthylamino)éthyl]-4-méthyl-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
5-(4-Chlorphenyl)-1-(2,4-dichlorphenyl)-N-[2-(dimethylamino)ethyl]-4-methyl-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
1H-pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-methyl- [ACD/Index Name]
5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid (2-dimethylamino-ethyl)-amide
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-methyl-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL278926/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 567.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.1±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 119.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 27.68
ACD/KOC (pH 5.5): 86.07
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 862.18
ACD/KOC (pH 7.4): 2680.61
Polar Surface Area: 50 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 338.5±7.0 cm3

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