ChemSpider 2D Image | N-{[(3aS,6aR)-2-{[5-(3,5-Difluorophenyl)-1H-pyrazol-3-yl]carbonyl}hexahydrocyclopenta[c]pyrrol-3a(1H)-yl]methyl}-3-isobutyl-1-methyl-1H-pyrazole-5-carboxamide | C27H32F2N6O2

N-{[(3aS,6aR)-2-{[5-(3,5-Difluorophenyl)-1H-pyrazol-3-yl]carbonyl}hexahydrocyclopenta[c]pyrrol-3a(1H)-yl]methyl}-3-isobutyl-1-methyl-1H-pyrazole-5-carboxamide

  • Molecular FormulaC27H32F2N6O2
  • Average mass510.579 Da
  • Monoisotopic mass510.255493 Da
  • ChemSpider ID127407272

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Pyrazole-5-carboxamide, N-[[(3aS,6aR)-2-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbonyl]hexahydrocyclopenta[c]pyrrol-3a(1H)-yl]methyl]-1-methyl-3-(2-methylpropyl)- [ACD/Index Name]
N-{[(3aS,6aR)-2-{[5-(3,5-Difluorophenyl)-1H-pyrazol-3-yl]carbonyl}hexahydrocyclopenta[c]pyrrol-3a(1H)-yl]methyl}-3-isobutyl-1-methyl-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
N-{[(3aS,6aR)-2-{[5-(3,5-Difluorophényl)-1H-pyrazol-3-yl]carbonyl}hexahydrocyclopenta[c]pyrrol-3a(1H)-yl]méthyl}-3-isobutyl-1-méthyl-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
N-{[(3aS,6aR)-2-{[5-(3,5-Difluorphenyl)-1H-pyrazol-3-yl]carbonyl}hexahydrocyclopenta[c]pyrrol-3a(1H)-yl]methyl}-3-isobutyl-1-methyl-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 742.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 402.9±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 135.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 146.15
ACD/KOC (pH 5.5): 1233.57
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 146.11
ACD/KOC (pH 7.4): 1233.24
Polar Surface Area: 96 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 367.6±7.0 cm3

Click to predict properties on the Chemicalize site


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