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

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

  • Molecular FormulaC24H26ClFN4O
  • Average mass440.941 Da
  • Monoisotopic mass440.177917 Da
  • ChemSpider ID60551107

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,5R)-N-(3-Chlorophenyl)-5-(3-fluorophenyl)-4-[1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-L-prolinamide [ACD/IUPAC Name]
(4S,5R)-N-(3-Chlorophényl)-5-(3-fluorophényl)-4-[1-(2-méthyl-2-propanyl)-1H-pyrazol-3-yl]-L-prolinamide [French] [ACD/IUPAC Name]
(4S,5R)-N-(3-Chlorphenyl)-5-(3-fluorphenyl)-4-[1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-L-prolinamid [German] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-(3-chlorophenyl)-4-[1-(1,1-dimethylethyl)-1H-pyrazol-3-yl]-5-(3-fluorophenyl)-, (2S,4S,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: 608.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.7±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: 3.84
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 171.29
ACD/KOC (pH 5.5): 836.31
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 945.07
ACD/KOC (pH 7.4): 4614.12
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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