ChemSpider 2D Image | 3-Cyclopentyl-5-iodo-4-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazole | C22H23IN2O

3-Cyclopentyl-5-iodo-4-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazole

  • Molecular FormulaC22H23IN2O
  • Average mass458.335 Da
  • Monoisotopic mass458.085510 Da
  • ChemSpider ID122774271

More details:

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

1H-Pyrazole, 3-cyclopentyl-5-iodo-4-(4-methoxy-3-methylphenyl)-1-phenyl- [ACD/Index Name]
3-Cyclopentyl-5-iod-4-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol [German] [ACD/IUPAC Name]
3-Cyclopentyl-5-iodo-4-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazole [ACD/IUPAC Name]
3-Cyclopentyl-5-iodo-4-(4-méthoxy-3-méthylphényl)-1-phényl-1H-pyrazole [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 525.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 271.7±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 114.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 63985.74
ACD/KOC (pH 5.5): 95890.44
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 63985.81
ACD/KOC (pH 7.4): 95890.54
Polar Surface Area: 27 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 310.5±7.0 cm3

Click to predict properties on the Chemicalize site


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