ChemSpider 2D Image | 3-{1-[(3-Cyclopropyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}-N-(2-fluorobenzyl)propanamide | C22H27FN4O2

3-{1-[(3-Cyclopropyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}-N-(2-fluorobenzyl)propanamide

  • Molecular FormulaC22H27FN4O2
  • Average mass398.474 Da
  • Monoisotopic mass398.211792 Da
  • ChemSpider ID22221104

More details:

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

3-{1-[(3-Cyclopropyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}-N-(2-fluorbenzyl)propanamid [German] [ACD/IUPAC Name]
3-{1-[(3-Cyclopropyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}-N-(2-fluorobenzyl)propanamide [ACD/IUPAC Name]
3-{1-[(3-Cyclopropyl-1H-pyrazol-5-yl)carbonyl]-3-pipéridinyl}-N-(2-fluorobenzyl)propanamide [French] [ACD/IUPAC Name]
3-Piperidinepropanamide, 1-[(3-cyclopropyl-1H-pyrazol-5-yl)carbonyl]-N-[(2-fluorophenyl)methyl]- [ACD/Index Name]
3-[1-(3-CYCLOPROPYL-1H-PYRAZOLE-5-CARBONYL)PIPERIDIN-3-YL]-N-[(2-FLUOROPHENYL)METHYL]PROPANAMIDE
3-[1-(5-CYCLOPROPYL-2H-PYRAZOLE-3-CARBONYL)PIPERIDIN-3-YL]-N-[(2-FLUOROPHENYL)METHYL]PROPANAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.7±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.32
ACD/KOC (pH 5.5): 550.21
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.35
ACD/KOC (pH 7.4): 550.54
Polar Surface Area: 78 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 315.5±3.0 cm3

Click to predict properties on the Chemicalize site


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