ChemSpider 2D Image | (4Z)-4-[(Butylamino)(phenyl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one | C21H23N3O

(4Z)-4-[(Butylamino)(phenyl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC21H23N3O
  • Average mass333.427 Da
  • Monoisotopic mass333.184113 Da
  • ChemSpider ID30657580

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-4-[(Butylamino)(phenyl)methylen]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
(4Z)-4-[(Butylamino)(phenyl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
(4Z)-4-[(Butylamino)(phényl)méthylène]-5-méthyl-2-phényl-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 4-[(butylamino)phenylmethylene]-2,4-dihydro-5-methyl-2-phenyl-, (4Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 463.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.9±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 102.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 5.54
ACD/KOC (pH 5.5): 33.55
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 63.01
ACD/KOC (pH 7.4): 381.48
Polar Surface Area: 45 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 300.8±7.0 cm3

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