ChemSpider 2D Image | 4-{[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl](3-nitrophenyl)methyl}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one | C29H27N5O4

4-{[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl](3-nitrophenyl)methyl}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC29H27N5O4
  • Average mass509.556 Da
  • Monoisotopic mass509.206299 Da
  • ChemSpider ID21510404

More details:

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

3H-Pyrazol-3-one, 2,4-dihydro-4-[[5-hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl](3-nitrophenyl)methyl]-5-methyl-2-(4-methylphenyl)- [ACD/Index Name]
4-{[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl](3-nitrophenyl)methyl}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-{[5-Hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl](3-nitrophenyl)methyl}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-{[5-Hydroxy-3-méthyl-1-(4-méthylphényl)-1H-pyrazol-4-yl](3-nitrophényl)méthyl}-5-méthyl-2-(4-méthylphényl)-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
4-[[5-hydroxy-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl](3-nitrophenyl)methyl]-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
4-{[5-HYDROXY-3-METHYL-1-(4-METHYLPHENYL)PYRAZOL-4-YL](3-NITROPHENYL)METHYL}-5-METHYL-2-(4-METHYLPHENYL)-4H-PYRAZOL-3-ONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 392.0±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 144.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3782.44
ACD/KOC (pH 5.5): 12651.38
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3176.64
ACD/KOC (pH 7.4): 10625.14
Polar Surface Area: 117 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 383.6±7.0 cm3

Click to predict properties on the Chemicalize site


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