ChemSpider 2D Image | (5R)-5-(4-Chloro-3-fluorophenyl)-4-[1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-N-phenyl-L-prolinamide | C24H26ClFN4O

(5R)-5-(4-Chloro-3-fluorophenyl)-4-[1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-N-phenyl-L-prolinamide

  • Molecular FormulaC24H26ClFN4O
  • Average mass440.941 Da
  • Monoisotopic mass440.177917 Da
  • ChemSpider ID60551692

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5R)-5-(4-Chlor-3-fluorphenyl)-4-[1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-N-phenyl-L-prolinamid [German] [ACD/IUPAC Name]
(5R)-5-(4-Chloro-3-fluorophenyl)-4-[1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-N-phenyl-L-prolinamide [ACD/IUPAC Name]
(5R)-5-(4-Chloro-3-fluorophényl)-4-[1-(2-méthyl-2-propanyl)-1H-pyrazol-3-yl]-N-phényl-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 5-(4-chloro-3-fluorophenyl)-4-[1-(1,1-dimethylethyl)-1H-pyrazol-3-yl]-N-phenyl-, (2S,5R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.8±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 182.65
ACD/KOC (pH 5.5): 913.18
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 877.84
ACD/KOC (pH 7.4): 4388.73
Polar Surface Area: 59 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 341.8±7.0 cm3

Click to predict properties on the Chemicalize site


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