ChemSpider 2D Image | 2-(4-{[5-Chloro-1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-4-yl]carbonyl}-1-piperazinyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide | C22H24ClFN6O3

2-(4-{[5-Chloro-1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-4-yl]carbonyl}-1-piperazinyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

  • Molecular FormulaC22H24ClFN6O3
  • Average mass474.916 Da
  • Monoisotopic mass474.158234 Da
  • ChemSpider ID33100156

More details:

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

1-Piperazineacetamide, 4-[[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl]carbonyl]-N-(5-methyl-3-isoxazolyl)- [ACD/Index Name]
2-(4-{[5-Chlor-1-(4-fluorbenzyl)-3-methyl-1H-pyrazol-4-yl]carbonyl}-1-piperazinyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamid [German] [ACD/IUPAC Name]
2-(4-{[5-Chloro-1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-4-yl]carbonyl}-1-piperazinyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide [ACD/IUPAC Name]
2-(4-{[5-Chloro-1-(4-fluorobenzyl)-3-méthyl-1H-pyrazol-4-yl]carbonyl}-1-pipérazinyl)-N-(5-méthyl-1,2-oxazol-3-yl)acétamide [French] [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: 730.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.6±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.37
ACD/KOC (pH 5.5): 416.72
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.08
ACD/KOC (pH 7.4): 425.92
Polar Surface Area: 97 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 330.4±7.0 cm3

Click to predict properties on the Chemicalize site


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