ChemSpider 2D Image | 3-[1-(2-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-{4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl}-2-propen-1-one | C25H32ClN5O3

3-[1-(2-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-{4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl}-2-propen-1-one

  • Molecular FormulaC25H32ClN5O3
  • Average mass486.006 Da
  • Monoisotopic mass485.219360 Da
  • ChemSpider ID35466525

More details:

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

2-Propen-1-one, 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl]-1-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]- [ACD/Index Name]
3-[1-(2-Chlorbenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-{4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl}-2-propen-1-on [German] [ACD/IUPAC Name]
3-[1-(2-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-{4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl}-2-propen-1-one [ACD/IUPAC Name]
3-[1-(2-Chlorobenzyl)-3,5-diméthyl-1H-pyrazol-4-yl]-1-{4-[2-(4-morpholinyl)-2-oxoéthyl]-1-pipérazinyl}-2-propén-1-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: 714.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.7±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 133.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.61
ACD/KOC (pH 5.5): 492.97
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.28
ACD/KOC (pH 7.4): 524.69
Polar Surface Area: 71 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 377.1±7.0 cm3

Click to predict properties on the Chemicalize site


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