ChemSpider 2D Image | 4-{[(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C22H20ClN5O

4-{[(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC22H20ClN5O
  • Average mass405.880 Da
  • Monoisotopic mass405.135651 Da
  • ChemSpider ID32782676

More details:

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

3H-Pyrazol-3-one, 4-[[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-{[(5-Chlor-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylen]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-{[(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-{[(5-Chloro-3-méthyl-1-phényl-1H-pyrazol-4-yl)méthylène]amino}-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 551.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.4±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 116.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 15.31
ACD/KOC (pH 5.5): 118.79
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 168.11
ACD/KOC (pH 7.4): 1304.43
Polar Surface Area: 54 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 318.3±7.0 cm3

Click to predict properties on the Chemicalize site


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