ChemSpider 2D Image | 2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)amino]-2-oxoethyl 5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carboxylate | C24H21ClFN5O3

2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)amino]-2-oxoethyl 5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC24H21ClFN5O3
  • Average mass481.907 Da
  • Monoisotopic mass481.131683 Da
  • ChemSpider ID21977112

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-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)amino]-2-oxoethyl ester [ACD/Index Name]
2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)amino]-2-oxoethyl 5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)amino]-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-[(3,5-diméthyl-1-phényl-1H-pyrazol-4-yl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 657.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.6±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1697.97
ACD/KOC (pH 5.5): 7136.20
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1699.49
ACD/KOC (pH 7.4): 7142.61
Polar Surface Area: 91 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 350.8±7.0 cm3

Click to predict properties on the Chemicalize site


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