ChemSpider 2D Image | 5-(4-Chloro-3-methylphenyl)-1-[4-(~2~H_3_)methylbenzyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-pyrazole-3-carboxamide | C29H31D3ClN3O

5-(4-Chloro-3-methylphenyl)-1-[4-(2H3)methylbenzyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-pyrazole-3-carboxamide

  • Molecular FormulaC29H31D3ClN3O
  • Average mass479.071 Da
  • Monoisotopic mass478.257874 Da
  • ChemSpider ID128938020

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrazole-3-carboxamide, 5-(4-chloro-3-methylphenyl)-1-[[4-(methyl-d3)phenyl]methyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]- [ACD/Index Name]
5-(4-Chlor-3-methylphenyl)-1-[4-(2H3)methylbenzyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
5-(4-Chloro-3-methylphenyl)-1-[4-(2H3)methylbenzyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
5-(4-Chloro-3-méthylphényl)-1-[4-(2H3)méthylbenzyl]-N-[(1S,2S,4R)-1,3,3-triméthylbicyclo[2.2.1]hept-2-yl]-1H-pyrazole-3-carboxamide [French] [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: 627.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.4±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 139.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 54394.34
ACD/KOC (pH 5.5): 85367.12
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 54388.25
ACD/KOC (pH 7.4): 85357.56
Polar Surface Area: 47 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 389.6±7.0 cm3

Click to predict properties on the Chemicalize site


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