ChemSpider 2D Image | 3-{1-[(3-Ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}-N-(4-fluoro-2-methylphenyl)propanamide | C22H29FN4O2

3-{1-[(3-Ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}-N-(4-fluoro-2-methylphenyl)propanamide

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID22121227

More details:






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

3-{1-[(3-Ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}-N-(4-fluor-2-methylphenyl)propanamid [German] [ACD/IUPAC Name]
3-{1-[(3-Ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}-N-(4-fluoro-2-methylphenyl)propanamide [ACD/IUPAC Name]
3-{1-[(3-Éthyl-1-méthyl-1H-pyrazol-5-yl)carbonyl]-3-pipéridinyl}-N-(4-fluoro-2-méthylphényl)propanamide [French] [ACD/IUPAC Name]
3-Piperidinepropanamide, 1-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-(4-fluoro-2-methylphenyl)- [ACD/Index Name]
3-[1-(3-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBONYL)PIPERIDIN-3-YL]-N-(4-FLUORO-2-METHYLPHENYL)PROPANAMIDE
3-[1-(5-ETHYL-2-METHYLPYRAZOLE-3-CARBONYL)PIPERIDIN-3-YL]-N-(4-FLUORO-2-METHYLPHENYL)PROPANAMIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 610.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.1±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 111.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.04
ACD/KOC (pH 5.5): 1482.96
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.08
ACD/KOC (pH 7.4): 1483.31
Polar Surface Area: 67 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 326.9±7.0 cm3

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