ChemSpider 2D Image | N-Benzyl-3-[1-(2-chloro-6-fluorobenzyl)-3-piperidinyl]-N-methyl-1H-pyrazole-4-carboxamide | C24H26ClFN4O

N-Benzyl-3-[1-(2-chloro-6-fluorobenzyl)-3-piperidinyl]-N-methyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC24H26ClFN4O
  • Average mass440.941 Da
  • Monoisotopic mass440.177917 Da
  • ChemSpider ID29937838

More details:

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

1H-Pyrazole-4-carboxamide, 3-[1-[(2-chloro-6-fluorophenyl)methyl]-3-piperidinyl]-N-methyl-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-3-[1-(2-chlor-6-fluorbenzyl)-3-piperidinyl]-N-methyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-Benzyl-3-[1-(2-chloro-6-fluorobenzyl)-3-piperidinyl]-N-methyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-Benzyl-3-[1-(2-chloro-6-fluorobenzyl)-3-pipéridinyl]-N-méthyl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
N-BENZYL-3-{1-[(2-CHLORO-6-FLUOROPHENYL)METHYL]PIPERIDIN-3-YL}-N-METHYL-1H-PYRAZOLE-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: 620.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.3±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 120.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 5.77
ACD/KOC (pH 5.5): 53.30
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 86.99
ACD/KOC (pH 7.4): 803.68
Polar Surface Area: 52 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 343.7±3.0 cm3

Click to predict properties on the Chemicalize site


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