ChemSpider 2D Image | 2-[1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carboxylate | C25H20ClF2N3O3

2-[1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC25H20ClF2N3O3
  • Average mass483.894 Da
  • Monoisotopic mass483.116119 Da
  • ChemSpider ID22450556

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-chloro-1-(4-fluorophenyl)-3-methyl-, 2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl ester [ACD/Index Name]
2-[1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
2-[1-(4-Fluorphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl-5-chlor-1-(4-fluorphenyl)-3-methyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
5-Chloro-1-(4-fluorophényl)-3-méthyl-1H-pyrazole-4-carboxylate de 2-[1-(4-fluorophényl)-2,5-diméthyl-1H-pyrrol-3-yl]-2-oxoéthyle [French] [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: 632.9±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: 336.6±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 125.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17202.40
ACD/KOC (pH 5.5): 37447.38
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17202.40
ACD/KOC (pH 7.4): 37447.38
Polar Surface Area: 66 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 360.4±7.0 cm3

Click to predict properties on the Chemicalize site


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