ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[4-(sec-butylcarbamoyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate | C24H33FN4O3

2-Methyl-2-propanyl 4-[4-(sec-butylcarbamoyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate

  • Molecular FormulaC24H33FN4O3
  • Average mass444.542 Da
  • Monoisotopic mass444.253662 Da
  • ChemSpider ID21923426

More details:

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

1-Piperidinecarboxylic acid, 4-[1-(4-fluorophenyl)-4-[[(1-methylpropyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[4-(sec-butylcarbamoyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[4-(sec-butylcarbamoyl)-1-(4-fluorphenyl)-1H-pyrazol-5-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[4-(sec-Butylcarbamoyl)-1-(4-fluorophényl)-1H-pyrazol-5-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: 1.2±0.1 g/cm3
Boiling Point: 576.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.4±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 122.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 579.02
ACD/KOC (pH 5.5): 3304.74
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 578.78
ACD/KOC (pH 7.4): 3303.38
Polar Surface Area: 76 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 40.7±7.0 dyne/cm
Molar Volume: 369.1±7.0 cm3

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