ChemSpider 2D Image | 5-Chloro-3-isopropyl-1-(7H-purin-6-yl)-1H-pyrazole-4-carbonitrile | C12H10ClN7

5-Chloro-3-isopropyl-1-(7H-purin-6-yl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC12H10ClN7
  • Average mass287.708 Da
  • Monoisotopic mass287.068634 Da
  • ChemSpider ID43571187

More details:

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

1H-Pyrazole-4-carbonitrile, 5-chloro-3-(1-methylethyl)-1-(7H-purin-6-yl)- [ACD/Index Name]
5-Chlor-3-isopropyl-1-(7H-purin-6-yl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Chloro-3-isopropyl-1-(7H-purin-6-yl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Chloro-3-isopropyl-1-(7H-purin-6-yl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 600.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.7±31.5 °C
Index of Refraction: 1.787
Molar Refractivity: 75.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.10
ACD/KOC (pH 5.5): 168.80
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.01
ACD/KOC (pH 7.4): 111.43
Polar Surface Area: 96 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 64.5±7.0 dyne/cm
Molar Volume: 179.0±7.0 cm3

Click to predict properties on the Chemicalize site


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