ChemSpider 2D Image | 2-(4-Chlorophenyl)-4-{(2-chlorophenyl)[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one | C27H21Cl3N4O2

2-(4-Chlorophenyl)-4-{(2-chlorophenyl)[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC27H21Cl3N4O2
  • Average mass539.840 Da
  • Monoisotopic mass538.072998 Da
  • ChemSpider ID12523841

More details:

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

2-(4-Chlorophenyl)-4-{(2-chlorophenyl)[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
2-(4-Chlorophényl)-4-{(2-chlorophényl)[1-(4-chlorophényl)-5-hydroxy-3-méthyl-1H-pyrazol-4-yl]méthyl}-5-méthyl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
2-(4-Chlorphenyl)-4-{(2-chlorphenyl)[1-(4-chlorphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 2-(4-chlorophenyl)-4-[(2-chlorophenyl)[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methyl]-1,2-dihydro-5-methyl- [ACD/Index Name]
2-(4-CHLOROPHENYL)-4-[(2-CHLOROPHENYL)[1-(4-CHLOROPHENYL)-5-HYDROXY-3-METHYLPYRAZOL-4-YL]METHYL]-5-METHYL-1H-PYRAZOL-3-ONE
2-(4-Chloro-phenyl)-4-{(2-chloro-phenyl)-[1-(4-chloro-phenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-methyl}-5-methyl-1,2-dihydro-pyrazol-3-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 372.7±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 143.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 41909.83
ACD/KOC (pH 5.5): 70729.22
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 31160.65
ACD/KOC (pH 7.4): 52588.35
Polar Surface Area: 70 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 375.9±7.0 cm3

Click to predict properties on the Chemicalize site


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