ChemSpider 2D Image | N-(4-Acetamidobenzyl)-1-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | C22H20F2N4O2

N-(4-Acetamidobenzyl)-1-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

  • Molecular FormulaC22H20F2N4O2
  • Average mass410.417 Da
  • Monoisotopic mass410.155426 Da
  • ChemSpider ID30502770

More details:

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

Cyclopenta[c]pyrazole-3-carboxamide, N-[[4-(acetylamino)phenyl]methyl]-1-(3,4-difluorophenyl)-1,4,5,6-tetrahydro- [ACD/Index Name]
N-(4-Acetamidobenzyl)-1-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide [ACD/IUPAC Name]
N-(4-Acétamidobenzyl)-1-(3,4-difluorophényl)-1,4,5,6-tétrahydrocyclopenta[c]pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
N-(4-Acetamidobenzyl)-1-(3,4-difluorphenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-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: 638.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.0±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 108.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 110.73
ACD/KOC (pH 5.5): 919.58
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 6.19
ACD/KOC (pH 7.4): 51.38
Polar Surface Area: 76 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 296.9±7.0 cm3

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