ChemSpider 2D Image | Ethyl 1-[(3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-(3-methoxybenzyl)-3-piperidinecarboxylate | C24H33N3O4

Ethyl 1-[(3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-(3-methoxybenzyl)-3-piperidinecarboxylate

  • Molecular FormulaC24H33N3O4
  • Average mass427.536 Da
  • Monoisotopic mass427.247101 Da
  • ChemSpider ID22175234

More details:






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

1-[(3-Isobutyl-1H-pyrazol-5-yl)carbonyl]-3-(3-méthoxybenzyl)-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 3-[(3-methoxyphenyl)methyl]-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[(3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-(3-methoxybenzyl)-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[(3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-(3-methoxybenzyl)-3-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 3-[(3-METHOXYPHENYL)METHYL]-1-[3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBONYL]PIPERIDINE-3-CARBOXYLATE
ETHYL 3-[(3-METHOXYPHENYL)METHYL]-1-[5-(2-METHYLPROPYL)-2H-PYRAZOLE-3-CARBONYL]PIPERIDINE-3-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 605.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.9±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 118.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 240.85
ACD/KOC (pH 5.5): 1763.63
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 240.95
ACD/KOC (pH 7.4): 1764.35
Polar Surface Area: 85 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 367.1±3.0 cm3

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