ChemSpider 2D Image | Tetrahydro-2H-pyran-4-ylmethyl 4-{4-carbamoyl-3-[(4-fluorophenyl)amino]-1H-pyrazol-1-yl}-4-(cyanomethyl)-1-piperidinecarboxylate | C24H29FN6O4

Tetrahydro-2H-pyran-4-ylmethyl 4-{4-carbamoyl-3-[(4-fluorophenyl)amino]-1H-pyrazol-1-yl}-4-(cyanomethyl)-1-piperidinecarboxylate

  • Molecular FormulaC24H29FN6O4
  • Average mass484.523 Da
  • Monoisotopic mass484.223419 Da
  • ChemSpider ID61729961

More details:

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

1-Piperidinecarboxylic acid, 4-[4-(aminocarbonyl)-3-[(4-fluorophenyl)amino]-1H-pyrazol-1-yl]-4-(cyanomethyl)-, (tetrahydro-2H-pyran-4-yl)methyl ester [ACD/Index Name]
4-{4-Carbamoyl-3-[(4-fluorophényl)amino]-1H-pyrazol-1-yl}-4-(cyanométhyl)-1-pipéridinecarboxylate de tétrahydro-2H-pyran-4-ylméthyle [French] [ACD/IUPAC Name]
Tetrahydro-2H-pyran-4-ylmethyl 4-{4-carbamoyl-3-[(4-fluorophenyl)amino]-1H-pyrazol-1-yl}-4-(cyanomethyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
Tetrahydro-2H-pyran-4-ylmethyl-4-{4-carbamoyl-3-[(4-fluorphenyl)amino]-1H-pyrazol-1-yl}-4-(cyanmethyl)-1-piperidincarboxylat [German] [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: 722.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 390.9±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 125.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.57
ACD/KOC (pH 5.5): 648.84
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.58
ACD/KOC (pH 7.4): 649.02
Polar Surface Area: 136 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 344.8±7.0 cm3

Click to predict properties on the Chemicalize site


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