ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{4-[(3-chloro-4-methylphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}-1-piperidinecarboxylate | C27H31ClN4O3

2-Methyl-2-propanyl 4-{4-[(3-chloro-4-methylphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}-1-piperidinecarboxylate

  • Molecular FormulaC27H31ClN4O3
  • Average mass495.013 Da
  • Monoisotopic mass494.208466 Da
  • ChemSpider ID22464573

More details:

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

1-Piperidinecarboxylic acid, 4-[4-[[(3-chloro-4-methylphenyl)amino]carbonyl]-1-phenyl-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{4-[(3-chloro-4-methylphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{4-[(3-chlor-4-methylphenyl)carbamoyl]-1-phenyl-1H-pyrazol-5-yl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{4-[(3-Chloro-4-méthylphényl)carbamoyl]-1-phényl-1H-pyrazol-5-yl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 4-{4-[(3-CHLORO-4-METHYLPHENYL)CARBAMOYL]-1-PHENYL-1H-PYRAZOL-5-YL}PIPERIDINE-1-CARBOXYLATE
TERT-BUTYL 4-{4-[(3-CHLORO-4-METHYLPHENYL)CARBAMOYL]-2-PHENYLPYRAZOL-3-YL}PIPERIDINE-1-CARBOXYLATE
ZINC09835337

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 567.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.9±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 138.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11388.19
ACD/KOC (pH 5.5): 27873.95
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11388.01
ACD/KOC (pH 7.4): 27873.52
Polar Surface Area: 76 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 395.9±7.0 cm3

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