ChemSpider 2D Image | AB-CHFUPYCA | C22H29FN4O2

AB-CHFUPYCA

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID57427398

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-5-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(cyclohexylmethyl)-3-(4-fluorophenyl)- [ACD/Index Name]
3,5-AB-CHMFUPPYCA
AB-CHFUPYCA [Wiki]
AB-CHMFUPPYCA
N2-{[1-(Cyclohexylmethyl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonyl}-L-valinamide [ACD/IUPAC Name]
N2-{[1-(Cyclohexylméthyl)-3-(4-fluorophényl)-1H-pyrazol-5-yl]carbonyl}-L-valinamide [French] [ACD/IUPAC Name]
N2-{[1-(Cyclohexylmethyl)-3-(4-fluorphenyl)-1H-pyrazol-5-yl]carbonyl}-L-valinamid [German] [ACD/IUPAC Name]
(S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)-3-(4-fluorophenyl)-1H-pyrazole-5-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: 620.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 328.9±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 109.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 217.79
ACD/KOC (pH 5.5): 1640.63
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 197.81
ACD/KOC (pH 7.4): 1490.14
Polar Surface Area: 90 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 313.7±7.0 cm3

Click to predict properties on the Chemicalize site


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