ChemSpider 2D Image | (6S)-6-Amino-1-benzyl-4-hydroxy-3-(trifluoromethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-b]pyridin-5-one | C14H13F3N4O2

(6S)-6-Amino-1-benzyl-4-hydroxy-3-(trifluoromethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-b]pyridin-5-one

  • Molecular FormulaC14H13F3N4O2
  • Average mass326.274 Da
  • Monoisotopic mass326.099060 Da
  • ChemSpider ID29407373

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-Amino-1-benzyl-4-hydroxy-3-(trifluormethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-b]pyridin-5-on [German] [ACD/IUPAC Name]
(6S)-6-Amino-1-benzyl-4-hydroxy-3-(trifluoromethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-b]pyridin-5-one [ACD/IUPAC Name]
(6S)-6-Amino-1-benzyl-4-hydroxy-3-(trifluorométhyl)-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-b]pyridin-5-one [French] [ACD/IUPAC Name]
5H-Pyrazolo[4,3-b]pyridin-5-one, 6-amino-1,4,6,7-tetrahydro-4-hydroxy-1-(phenylmethyl)-3-(trifluoromethyl)-, (6S)- [ACD/Index Name]
US8598200, 36

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

Density: 1.6±0.1 g/cm3
Boiling Point: 492.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 251.8±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 74.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.39
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.64
Polar Surface Area: 84 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 204.2±7.0 cm3

Click to predict properties on the Chemicalize site


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