ChemSpider 2D Image | 2-({[1-(Cyclohexylmethyl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl}amino)-3-methylbutanimidic acid | C22H29FN4O2

2-({[1-(Cyclohexylmethyl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl}amino)-3-methylbutanimidic acid

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID68028034

More details:

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

2-({[1-(Cyclohexylmethyl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl}amino)-3-methylbutanimidic acid [ACD/IUPAC Name]
2-({[1-(Cyclohexylmethyl)-5-(4-fluorphenyl)-1H-pyrazol-3-yl]carbonyl}amino)-3-methylbutanimidsäure [German] [ACD/IUPAC Name]
Acide 2-({[1-(cyclohexylméthyl)-5-(4-fluorophényl)-1H-pyrazol-3-yl]carbonyl}amino)-3-méthylbutanimidique [French] [ACD/IUPAC Name]
Butanimidic acid, 2-[[[1-(cyclohexylmethyl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl]amino]-3-methyl- [ACD/Index Name]
5,3-AB-CHMFUPPYCA

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 109.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.85
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.74
Polar Surface Area: 91 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 313.7±7.0 cm3

Click to predict properties on the Chemicalize site


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