ChemSpider 2D Image | N~2~-{[5-(4-Fluorophenyl)-1-(4-penten-1-yl)-1H-pyrazol-3-yl]carbonyl}-3-methyl-L-valinamide | C21H27FN4O2

N2-{[5-(4-Fluorophenyl)-1-(4-penten-1-yl)-1H-pyrazol-3-yl]carbonyl}-3-methyl-L-valinamide

  • Molecular FormulaC21H27FN4O2
  • Average mass386.463 Da
  • Monoisotopic mass386.211792 Da
  • ChemSpider ID114951991

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2,2-dimethylpropyl]-5-(4-fluorophenyl)-1-(4-penten-1-yl)- [ACD/Index Name]
N2-{[5-(4-Fluorophenyl)-1-(4-penten-1-yl)-1H-pyrazol-3-yl]carbonyl}-3-methyl-L-valinamide [ACD/IUPAC Name]
N2-{[5-(4-Fluorophényl)-1-(4-pentén-1-yl)-1H-pyrazol-3-yl]carbonyl}-3-méthyl-L-valinamide [French] [ACD/IUPAC Name]
N2-{[5-(4-Fluorphenyl)-1-(4-penten-1-yl)-1H-pyrazol-3-yl]carbonyl}-3-methyl-L-valinamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 589.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.0±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.29
ACD/KOC (pH 5.5): 859.93
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.20
ACD/KOC (pH 7.4): 849.33
Polar Surface Area: 90 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 329.8±7.0 cm3

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