ChemSpider 2D Image | (2S)-2-({[1-(5-Fluoropentyl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methylbutanimidic acid | C20H26F2N4O2

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

  • Molecular FormulaC20H26F2N4O2
  • Average mass392.443 Da
  • Monoisotopic mass392.202393 Da
  • ChemSpider ID68025546

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-({[1-(5-Fluoropentyl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methylbutanimidic acid [ACD/IUPAC Name]
(2S)-2-({[1-(5-Fluorpentyl)-3-(4-fluorphenyl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methylbutanimidsäure [German] [ACD/IUPAC Name]
Acide (2S)-2-({[1-(5-fluoropentyl)-3-(4-fluorophényl)-1H-pyrazol-5-yl]carbonyl}amino)-3-méthylbutanimidique [French] [ACD/IUPAC Name]
Butanimidic acid, 2-[[[1-(5-fluoropentyl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonyl]amino]-3-methyl-, (2S)- [ACD/Index Name]
(2S)-2-{[1-(5-FLUOROPENTYL)-3-(4-FLUOROPHENYL)-1H-PYRAZOL-5-YL]FORMAMIDO}-3-METHYLBUTANAMIDE
(2S)-2-{[2-(5-FLUOROPENTYL)-5-(4-FLUOROPHENYL)PYRAZOL-3-YL]FORMAMIDO}-3-METHYLBUTANAMIDE
(S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
2365471-73-2 [RN]
5-fluoro-3,5-AB-PFUPPYCA

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: 1.570
Molar Refractivity: 102.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 313.0±7.0 cm3

Click to predict properties on the Chemicalize site


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