ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{1-(3,4-dimethylphenyl)-4-[(3-phenyl-1-pyrrolidinyl)carbonyl]-1H-pyrazol-5-yl}-1-piperidinecarboxylate | C32H40N4O3

2-Methyl-2-propanyl 4-{1-(3,4-dimethylphenyl)-4-[(3-phenyl-1-pyrrolidinyl)carbonyl]-1H-pyrazol-5-yl}-1-piperidinecarboxylate

  • Molecular FormulaC32H40N4O3
  • Average mass528.685 Da
  • Monoisotopic mass528.310059 Da
  • ChemSpider ID22480052

More details:

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

1-Piperidinecarboxylic acid, 4-[1-(3,4-dimethylphenyl)-4-[(3-phenyl-1-pyrrolidinyl)carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{1-(3,4-dimethylphenyl)-4-[(3-phenyl-1-pyrrolidinyl)carbonyl]-1H-pyrazol-5-yl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{1-(3,4-dimethylphenyl)-4-[(3-phenyl-1-pyrrolidinyl)carbonyl]-1H-pyrazol-5-yl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{1-(3,4-Diméthylphényl)-4-[(3-phényl-1-pyrrolidinyl)carbonyl]-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: 677.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.6±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 154.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13340.40
ACD/KOC (pH 5.5): 31216.51
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13340.40
ACD/KOC (pH 7.4): 31216.51
Polar Surface Area: 68 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 443.5±7.0 cm3

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