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

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

  • Molecular FormulaC28H33ClN4O3
  • Average mass509.040 Da
  • Monoisotopic mass508.224121 Da
  • ChemSpider ID22480079

More details:

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

1-Piperidinecarboxylic acid, 4-[4-[[[(4-chlorophenyl)methyl]amino]carbonyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{4-[(4-chlorobenzyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{4-[(4-chlorbenzyl)carbamoyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{4-[(4-Chlorobenzyl)carbamoyl]-1-(4-méthylphényl)-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: 357.3±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): 6652.68
ACD/KOC (pH 5.5): 18971.09
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6652.68
ACD/KOC (pH 7.4): 18971.07
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

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