ChemSpider 2D Image | N-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-fluorobenzyl)-6-oxo-3-piperidinecarboxamide | C21H27FN4O2

N-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-fluorobenzyl)-6-oxo-3-piperidinecarboxamide

  • Molecular FormulaC21H27FN4O2
  • Average mass386.463 Da
  • Monoisotopic mass386.211792 Da
  • ChemSpider ID22189625

More details:

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

3-Piperidinecarboxamide, N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxo- [ACD/Index Name]
N-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-fluorbenzyl)-6-oxo-3-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-fluorobenzyl)-6-oxo-3-piperidinecarboxamide [ACD/IUPAC Name]
N-[(1-Éthyl-3,5-diméthyl-1H-pyrazol-4-yl)méthyl]-1-(3-fluorobenzyl)-6-oxo-3-pipéridinecarboxamide [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: 644.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.4±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.74
ACD/KOC (pH 5.5): 394.40
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.81
ACD/KOC (pH 7.4): 395.31
Polar Surface Area: 67 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 310.8±7.0 cm3

Click to predict properties on the Chemicalize site


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