ChemSpider 2D Image | 2-Methyl-2-propanyl 3-oxo-2-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate | C17H21N3O3

2-Methyl-2-propanyl 3-oxo-2-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate

  • Molecular FormulaC17H21N3O3
  • Average mass315.367 Da
  • Monoisotopic mass315.158295 Da
  • ChemSpider ID28600200

More details:






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

2-Methyl-2-propanyl 3-oxo-2-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-oxo-2-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrazolo[3,4-c]pyridin-6-carboxylat [German] [ACD/IUPAC Name]
3-Oxo-2-phényl-1,2,3,4,5,7-hexahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
6H-Pyrazolo[3,4-c]pyridine-6-carboxylic acid, 1,2,3,4,5,7-hexahydro-3-oxo-2-phenyl-, 1,1-dimethylethyl ester [ACD/Index Name]
1215230-27-5 [RN]
6H-Pyrazolo[3,4-c]pyridine-6-carboxylic acid, 1,2,3,4,5,7-hexahydro-3-oxo-2-phenyl-, 1,1-diMethyleth
tert-Butyl 3-oxo-2-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate
tert-Butyl 3-oxo-2-phenyl-2,3,4,5-tetrahydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 450.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 226.0±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.76
ACD/KOC (pH 5.5): 545.65
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.76
ACD/KOC (pH 7.4): 545.66
Polar Surface Area: 62 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 246.9±5.0 cm3

Click to predict properties on the Chemicalize site






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