ChemSpider 2D Image | 5-(Butylamino)-6-(4-fluorophenyl)-1-(4-methylphenyl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile | C23H21FN6O

5-(Butylamino)-6-(4-fluorophenyl)-1-(4-methylphenyl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile

  • Molecular FormulaC23H21FN6O
  • Average mass416.451 Da
  • Monoisotopic mass416.176086 Da
  • ChemSpider ID21117986

More details:

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

1H-Pyrazolo[4,3-d]pyrimidine-3-carbonitrile, 5-(butylamino)-6-(4-fluorophenyl)-6,7-dihydro-1-(4-methylphenyl)-7-oxo- [ACD/Index Name]
5-(Butylamino)-6-(4-fluorophenyl)-1-(4-methylphenyl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile [ACD/IUPAC Name]
5-(Butylamino)-6-(4-fluorophényl)-1-(4-méthylphényl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile [French] [ACD/IUPAC Name]
5-(Butylamino)-6-(4-fluorphenyl)-1-(4-methylphenyl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-carbonitril [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 609.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.3±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 117.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 298.86
ACD/KOC (pH 5.5): 2058.45
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 298.86
ACD/KOC (pH 7.4): 2058.45
Polar Surface Area: 86 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 319.4±7.0 cm3

Click to predict properties on the Chemicalize site


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