ChemSpider 2D Image | 1,5-Dimethyl-2-phenyl-4-[(Z)-(2-quinolinylmethylene)amino]-1,2-dihydro-3H-pyrazol-3-one | C21H18N4O

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

  • Molecular FormulaC21H18N4O
  • Average mass342.394 Da
  • Monoisotopic mass342.148071 Da
  • ChemSpider ID30655217

  • Double-bond stereo - Double-bond stereo

More details:

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

1,5-Diméthyl-2-phényl-4-[(Z)-(2-quinoléinylméthylène)amino]-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
1,5-Dimethyl-2-phenyl-4-[(Z)-(2-quinolinylmethylene)amino]-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-4-[[(1Z)-2-quinolinylmethylene]amino]- [ACD/Index Name]
4-[(Z)-(2-Chinolinylmethylen)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.6±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 18.74
ACD/KOC (pH 5.5): 196.97
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.29
ACD/KOC (pH 7.4): 686.44
Polar Surface Area: 49 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 283.0±7.0 cm3

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