ChemSpider 2D Image | Ethyl 1-(4-{[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl}phenyl)-5-methyl-1H-pyrazole-4-carboxylate | C21H18ClF2N3O4

Ethyl 1-(4-{[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl}phenyl)-5-methyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC21H18ClF2N3O4
  • Average mass449.835 Da
  • Monoisotopic mass449.095398 Da
  • ChemSpider ID31489105

More details:

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

1-(4-{[3-Chloro-4-(difluorométhoxy)phényl]carbamoyl}phényl)-5-méthyl-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-[4-[[[3-chloro-4-(difluoromethoxy)phenyl]amino]carbonyl]phenyl]-5-methyl-, ethyl ester [ACD/Index Name]
Ethyl 1-(4-{[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl}phenyl)-5-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-(4-{[3-chlor-4-(difluormethoxy)phenyl]carbamoyl}phenyl)-5-methyl-1H-pyrazol-4-carboxylat [German] [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: 492.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.6±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2532.19
ACD/KOC (pH 5.5): 9502.07
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2531.86
ACD/KOC (pH 7.4): 9500.83
Polar Surface Area: 82 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 326.0±7.0 cm3

Click to predict properties on the Chemicalize site


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