ChemSpider 2D Image | 2-(4-Chlorophenyl)-7-methyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one | C23H23ClN6O2

2-(4-Chlorophenyl)-7-methyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one

  • Molecular FormulaC23H23ClN6O2
  • Average mass450.921 Da
  • Monoisotopic mass450.157104 Da
  • ChemSpider ID22483052

More details:

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

2-(4-Chlorophenyl)-7-methyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one [ACD/IUPAC Name]
2-(4-Chlorophényl)-7-méthyl-5-[2-oxo-2-(1-pipéridinyl)éthyl]-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one [French] [ACD/IUPAC Name]
2-(4-Chlorphenyl)-7-methyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-on [German] [ACD/IUPAC Name]
4H-Pyrazolo[3,4-d]pyridazin-4-one, 2-(4-chlorophenyl)-2,5-dihydro-7-methyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-3-(1H-pyrrol-1-yl)- [ACD/Index Name]
2-(4-chlorophenyl)-7-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 685.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.5±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 123.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.00
ACD/KOC (pH 5.5): 572.47
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.00
ACD/KOC (pH 7.4): 572.47
Polar Surface Area: 76 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 315.5±7.0 cm3

Click to predict properties on the Chemicalize site


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