ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{1-(4-chlorophenyl)-4-[(4-methylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-1-piperidinecarboxylate | C28H33ClN4O3

2-Methyl-2-propanyl 4-{1-(4-chlorophenyl)-4-[(4-methylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-1-piperidinecarboxylate

  • Molecular FormulaC28H33ClN4O3
  • Average mass509.040 Da
  • Monoisotopic mass508.224121 Da
  • ChemSpider ID22483141

More details:

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

1-Piperidinecarboxylic acid, 4-[1-(4-chlorophenyl)-4-[[[(4-methylphenyl)methyl]amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{1-(4-chlorophenyl)-4-[(4-methylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{1-(4-chlorphenyl)-4-[(4-methylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{1-(4-Chlorophényl)-4-[(4-méthylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [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: 667.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.4±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 142.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6650.65
ACD/KOC (pH 5.5): 18966.89
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6646.09
ACD/KOC (pH 7.4): 18953.90
Polar Surface Area: 76 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 412.0±7.0 cm3

Click to predict properties on the Chemicalize site


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