ChemSpider 2D Image | 4-[(Z)-(2-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C18H17N3O2

4-[(Z)-(2-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC18H17N3O2
  • Average mass307.346 Da
  • Monoisotopic mass307.132080 Da
  • ChemSpider ID21475163

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-Pyrazol-3-one, 1,2-dihydro-4-[[(1Z)-(2-hydroxyphenyl)methylene]amino]-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-[(Z)-(2-Hydroxybenzyliden)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-[(Z)-(2-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-[(Z)-(2-Hydroxybenzylidène)amino]-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
4-[(1Z)-2-(2-hydroxyphenyl)-1-azavinyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-on e
4-[(1Z)-2-(2-hydroxyphenyl)-1-azavinyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 456.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 229.8±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 90.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 14.48
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 11.80
ACD/KOC (pH 7.4): 152.78
Polar Surface Area: 56 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 255.9±7.0 cm3

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