ChemSpider 2D Image | 2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-2-oxoethyl 1-(4-fluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate | C21H15ClF4N4O3

2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-2-oxoethyl 1-(4-fluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate

  • Molecular FormulaC21H15ClF4N4O3
  • Average mass482.815 Da
  • Monoisotopic mass482.076874 Da
  • ChemSpider ID33106733

More details:






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

1-(4-Fluorophényl)-1,4,5,6-tétrahydrocyclopenta[c]pyrazole-3-carboxylate de 2-{[3-chloro-5-(trifluorométhyl)-2-pyridinyl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
2-{[3-Chlor-5-(trifluormethyl)-2-pyridinyl]amino}-2-oxoethyl-1-(4-fluorphenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-2-oxoethyl 1-(4-fluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate [ACD/IUPAC Name]
Cyclopenta[c]pyrazole-3-carboxylic acid, 1-(4-fluorophenyl)-1,4,5,6-tetrahydro-, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 651.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.9±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 110.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3703.62
ACD/KOC (pH 5.5): 12473.83
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3665.27
ACD/KOC (pH 7.4): 12344.68
Polar Surface Area: 86 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 308.5±7.0 cm3

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