ChemSpider 2D Image | (4R)-1-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-4-fluoro-L-prolinamide | C11H17FN4O

(4R)-1-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-4-fluoro-L-prolinamide

  • Molecular FormulaC11H17FN4O
  • Average mass240.277 Da
  • Monoisotopic mass240.138641 Da
  • ChemSpider ID54838645

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-4-fluor-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-4-fluoro-L-prolinamide [ACD/IUPAC Name]
(4R)-1-[(1-Éthyl-1H-pyrazol-4-yl)méthyl]-4-fluoro-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-fluoro-, (2S,4R)- [ACD/Index 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: 428.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 212.9±28.7 °C
Index of Refraction: 1.621
Molar Refractivity: 61.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.56
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.94
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.46
Polar Surface Area: 64 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 175.1±7.0 cm3

Click to predict properties on the Chemicalize site


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