ChemSpider 2D Image | 2-[4-(4-Acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl 5-(2-chlorophenyl)-1H-pyrazole-3-carboxylate | C24H22ClFN4O4

2-[4-(4-Acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl 5-(2-chlorophenyl)-1H-pyrazole-3-carboxylate

  • Molecular FormulaC24H22ClFN4O4
  • Average mass484.907 Da
  • Monoisotopic mass484.131348 Da
  • ChemSpider ID30517388

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-(2-chlorophenyl)-, 2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl ester [ACD/Index Name]
2-[4-(4-Acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl 5-(2-chlorophenyl)-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
2-[4-(4-Acetyl-2-fluorphenyl)-1-piperazinyl]-2-oxoethyl-5-(2-chlorphenyl)-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
5-(2-Chlorophényl)-1H-pyrazole-3-carboxylate de 2-[4-(4-acétyl-2-fluorophényl)-1-pipérazinyl]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[4-(4-ACETYL-2-FLUOROPHENYL)PIPERAZIN-1-YL]-2-OXOETHYL 5-(2-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 766.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.1±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 122.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.92
ACD/KOC (pH 5.5): 1695.49
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 225.52
ACD/KOC (pH 7.4): 1677.59
Polar Surface Area: 96 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 350.8±3.0 cm3

Click to predict properties on the Chemicalize site


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