ChemSpider 2D Image | Ethyl 1-{2-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-piperidinecarboxylate | C27H32FN3O5

Ethyl 1-{2-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-piperidinecarboxylate

  • Molecular FormulaC27H32FN3O5
  • Average mass497.559 Da
  • Monoisotopic mass497.232605 Da
  • ChemSpider ID22697674

More details:

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

1-{2-[3-(2,4-Diméthoxyphényl)-5-(4-fluorophényl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoéthyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{2-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{2-[3-(2,4-dimethoxyphenyl)-5-(4-fluorphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 609.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.2±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 132.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 17.36
ACD/KOC (pH 5.5): 140.51
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 152.45
ACD/KOC (pH 7.4): 1233.98
Polar Surface Area: 81 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 393.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement