ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[3-cyclopropyl-4-(2-fluoro-5-methylphenyl)-5-iodo-1H-pyrazol-1-yl]-1-piperidinecarboxylate | C23H29FIN3O2

2-Methyl-2-propanyl 4-[3-cyclopropyl-4-(2-fluoro-5-methylphenyl)-5-iodo-1H-pyrazol-1-yl]-1-piperidinecarboxylate

  • Molecular FormulaC23H29FIN3O2
  • Average mass525.398 Da
  • Monoisotopic mass525.128845 Da
  • ChemSpider ID122743039

More details:

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

1-Piperidinecarboxylic acid, 4-[3-cyclopropyl-4-(2-fluoro-5-methylphenyl)-5-iodo-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[3-cyclopropyl-4-(2-fluoro-5-methylphenyl)-5-iodo-1H-pyrazol-1-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[3-cyclopropyl-4-(2-fluor-5-methylphenyl)-5-iod-1H-pyrazol-1-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[3-Cyclopropyl-4-(2-fluoro-5-méthylphényl)-5-iodo-1H-pyrazol-1-yl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 561.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.6±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 123.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 32281.17
ACD/KOC (pH 5.5): 58761.07
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 32281.31
ACD/KOC (pH 7.4): 58761.33
Polar Surface Area: 47 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 341.0±7.0 cm3

Click to predict properties on the Chemicalize site


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