ChemSpider 2D Image | 5-Benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile | C14H10N4O

5-Benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

  • Molecular FormulaC14H10N4O
  • Average mass250.255 Da
  • Monoisotopic mass250.085464 Da
  • ChemSpider ID17807011

More details:

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

5-Benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-3-carbonitril [German] [ACD/IUPAC Name]
5-Benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile [ACD/IUPAC Name]
5-Benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile [French] [ACD/IUPAC Name]
5-Benzyl-7-oxo-4,7-dihydro-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 4,7-dihydro-7-oxo-5-(phenylmethyl)- [ACD/Index Name]
5-benzyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
693796-29-1 [RN]
AC1LHV1D
CHEMBL1452767
HMS1690O07
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MLS000099280 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 486.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.8±31.5 °C
Index of Refraction: 1.701
Molar Refractivity: 72.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.10
ACD/KOC (pH 5.5): 169.05
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.10
ACD/KOC (pH 7.4): 169.05
Polar Surface Area: 71 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 186.8±7.0 cm3

Click to predict properties on the Chemicalize site


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