ChemSpider 2D Image | N-(2-Chloro-6-fluorobenzyl)-1-ethyl-N-methyl-1H-pyrazole-4-carboxamide | C14H15ClFN3O

N-(2-Chloro-6-fluorobenzyl)-1-ethyl-N-methyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC14H15ClFN3O
  • Average mass295.740 Da
  • Monoisotopic mass295.088776 Da
  • ChemSpider ID30180217

More details:

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

1H-Pyrazole-4-carboxamide, N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methyl- [ACD/Index Name]
N-(2-Chlor-6-fluorbenzyl)-1-ethyl-N-methyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-(2-Chloro-6-fluorobenzyl)-1-ethyl-N-methyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-(2-Chloro-6-fluorobenzyl)-1-éthyl-N-méthyl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
N-[(2-CHLORO-6-FLUOROPHENYL)METHYL]-1-ETHYL-N-METHYL-1H-PYRAZOLE-4-CARBOXAMIDE
N-[(2-CHLORO-6-FLUOROPHENYL)METHYL]-1-ETHYL-N-METHYLPYRAZOLE-4-CARBOXAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 447.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 224.2±27.3 °C
Index of Refraction: 1.577
Molar Refractivity: 77.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.55
ACD/KOC (pH 5.5): 457.45
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.55
ACD/KOC (pH 7.4): 457.45
Polar Surface Area: 38 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 40.5±7.0 dyne/cm
Molar Volume: 235.1±7.0 cm3

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