ChemSpider 2D Image | N-(5-{[(2S)-1-Amino-4-cyclohexyl-1-oxo-2-butanyl]carbamoyl}-2-methylphenyl)-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide | C29H32F3N5O3

N-(5-{[(2S)-1-Amino-4-cyclohexyl-1-oxo-2-butanyl]carbamoyl}-2-methylphenyl)-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID128439275

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-4-carboxamide, N-[5-[[[(1S)-1-(aminocarbonyl)-3-cyclohexylpropyl]amino]carbonyl]-2-methylphenyl]-1-phenyl-5-(trifluoromethyl)- [ACD/Index Name]
N-(5-{[(2S)-1-Amino-4-cyclohexyl-1-oxo-2-butanyl]carbamoyl}-2-methylphenyl)-1-phenyl-5-(trifluormethyl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-(5-{[(2S)-1-Amino-4-cyclohexyl-1-oxo-2-butanyl]carbamoyl}-2-methylphenyl)-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-(5-{[(2S)-1-Amino-4-cyclohexyl-1-oxo-2-butanyl]carbamoyl}-2-méthylphényl)-1-phényl-5-(trifluorométhyl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4465031/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 665.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 356.0±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 143.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 658.31
ACD/KOC (pH 5.5): 3622.73
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 658.26
ACD/KOC (pH 7.4): 3622.44
Polar Surface Area: 119 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 411.3±7.0 cm3

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