ChemSpider 2D Image | N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazole-4-carboxamide | C21H19F2N3O3

N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC21H19F2N3O3
  • Average mass399.391 Da
  • Monoisotopic mass399.139435 Da
  • ChemSpider ID21950982

More details:

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

1H-Pyrazole-4-carboxamide, N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]- [ACD/Index Name]
N-(2,2-Difluor-1,3-benzodioxol-5-yl)-3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-3,5-diméthyl-1-(4-méthylbenzyl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 458.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.2±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 102.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1332.64
ACD/KOC (pH 5.5): 6001.55
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1332.56
ACD/KOC (pH 7.4): 6001.19
Polar Surface Area: 65 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 295.4±7.0 cm3

Click to predict properties on the Chemicalize site


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