ChemSpider 2D Image | 5-(4-Chloro-3-methylphenyl)-1-(4-methylbenzyl)-N-[(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-pyrazole-3-carboximidic acid | C29H34ClN3O

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

  • Molecular FormulaC29H34ClN3O
  • Average mass476.053 Da
  • Monoisotopic mass475.239044 Da
  • ChemSpider ID57643261

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Pyrazole-3-carboximidic acid, 5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]- [ACD/Index Name]
5-(4-Chlor-3-methylphenyl)-1-(4-methylbenzyl)-N-[(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-pyrazol-3-carboximidsäure [German] [ACD/IUPAC Name]
5-(4-Chloro-3-methylphenyl)-1-(4-methylbenzyl)-N-[(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-pyrazole-3-carboximidic acid [ACD/IUPAC Name]
Acide 5-(4-chloro-3-méthylphényl)-1-(4-méthylbenzyl)-N-[(1S,2R,4R)-1,3,3-triméthylbicyclo[2.2.1]hept-2-yl]-1H-pyrazole-3-carboximidique [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: 630.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 335.3±34.3 °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: 7.85
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 557.92
ACD/KOC (pH 5.5): 650.38
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 550.37
ACD/KOC (pH 7.4): 641.58
Polar Surface Area: 50 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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