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

  • Molecular FormulaC27H21Cl3N4O2
  • Average mass539.840 Da
  • Monoisotopic mass538.072998 Da
  • ChemSpider ID21510398

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-2,4-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-2,4-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-2,4-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]-2,4-dihydro-5-methyl- [ACD/Index Name]
2-(4-CHLOROPHENYL)-4-[(2-CHLOROPHENYL)[1-(4-CHLOROPHENYL)-5-HYDROXY-3-METHYLPYRAZOL-4-YL]METHYL]-5-METHYL-4H-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: 716.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 386.9±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 143.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22841.25
ACD/KOC (pH 5.5): 45795.00
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 16046.10
ACD/KOC (pH 7.4): 32171.24
Polar Surface Area: 71 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


Advertisement