ChemSpider 2D Image | Ethyl 1-{[4-chloro-5-(4-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}-3-piperidinecarboxylate | C25H25ClFN3O4

Ethyl 1-{[4-chloro-5-(4-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}-3-piperidinecarboxylate

  • Molecular FormulaC25H25ClFN3O4
  • Average mass485.935 Da
  • Monoisotopic mass485.151764 Da
  • ChemSpider ID67463111

More details:

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

1-{[4-Chloro-5-(4-fluorophényl)-1-(4-méthoxyphényl)-1H-pyrazol-3-yl]carbonyl}-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[[4-chloro-5-(4-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[4-chloro-5-(4-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[4-chlor-5-(4-fluorphenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}-3-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: 633.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.9±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 127.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2184.02
ACD/KOC (pH 5.5): 8547.45
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2184.02
ACD/KOC (pH 7.4): 8547.45
Polar Surface Area: 74 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 364.9±7.0 cm3

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