ChemSpider 2D Image | N~2~-{[1-(2-Fluorophenyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]isovalinamide | C28H31F4N5O2

N2-{[1-(2-Fluorophenyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]isovalinamide

  • Molecular FormulaC28H31F4N5O2
  • Average mass545.572 Da
  • Monoisotopic mass545.241394 Da
  • ChemSpider ID120903843

More details:

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

1H-Pyrazole-3-carboxamide, 1-(2-fluorophenyl)-5-methyl-N-[1-methyl-1-[[[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]amino]carbonyl]propyl]- [ACD/Index Name]
N2-{[1-(2-Fluorophenyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]isovalinamide [ACD/IUPAC Name]
N2-{[1-(2-Fluorophényl)-5-méthyl-1H-pyrazol-3-yl]carbonyl}-N-[2-(1-pipéridinyl)-5-(trifluorométhyl)phényl]isovalinamide [French] [ACD/IUPAC Name]
N2-{[1-(2-Fluorphenyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-N-[2-(1-piperidinyl)-5-(trifluormethyl)phenyl]isovalinamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.6±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5304.21
ACD/KOC (pH 5.5): 15977.40
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3312.78
ACD/KOC (pH 7.4): 9978.78
Polar Surface Area: 79 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 418.6±7.0 cm3

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