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

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

  • Molecular FormulaC28H33ClN4O3
  • Average mass509.040 Da
  • Monoisotopic mass508.224121 Da
  • ChemSpider ID21923742

More details:

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

1-Piperidinecarboxylic acid, 4-[1-(2-chlorophenyl)-4-[[(2-phenylethyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{1-(2-chlorophenyl)-4-[(2-phenylethyl)carbamoyl]-1H-pyrazol-5-yl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{1-(2-chlorphenyl)-4-[(2-phenylethyl)carbamoyl]-1H-pyrazol-5-yl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{1-(2-Chlorophényl)-4-[(2-phényléthyl)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: 672.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.4±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 143.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 9903.95
ACD/KOC (pH 5.5): 25222.51
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9899.26
ACD/KOC (pH 7.4): 25210.60
Polar Surface Area: 76 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 412.8±7.0 cm3

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