ChemSpider 2D Image | 4-Chloro-1-(3,4-dichlorobenzyl)-N-[4-(dimethylamino)phenyl]-5-ethyl-1H-pyrazole-3-carboxamide | C21H21Cl3N4O

4-Chloro-1-(3,4-dichlorobenzyl)-N-[4-(dimethylamino)phenyl]-5-ethyl-1H-pyrazole-3-carboxamide

  • Molecular FormulaC21H21Cl3N4O
  • Average mass451.777 Da
  • Monoisotopic mass450.078094 Da
  • ChemSpider ID67547749

More details:

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

1H-Pyrazole-3-carboxamide, 4-chloro-1-[(3,4-dichlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-5-ethyl- [ACD/Index Name]
4-Chlor-1-(3,4-dichlorbenzyl)-N-[4-(dimethylamino)phenyl]-5-ethyl-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
4-Chloro-1-(3,4-dichlorobenzyl)-N-[4-(dimethylamino)phenyl]-5-ethyl-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
4-Chloro-1-(3,4-dichlorobenzyl)-N-[4-(diméthylamino)phényl]-5-éthyl-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 558.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.4±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: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3066.13
ACD/KOC (pH 5.5): 8871.66
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6230.37
ACD/KOC (pH 7.4): 18027.19
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

Click to predict properties on the Chemicalize site


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