ChemSpider 2D Image | Methyl 4-{4-hydroxy-3-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-5-oxo-1-(3-pyridinylmethyl)-2,5-dihydro-1H-pyrrol-2-yl}benzoate | C29H24N4O5

Methyl 4-{4-hydroxy-3-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-5-oxo-1-(3-pyridinylmethyl)-2,5-dihydro-1H-pyrrol-2-yl}benzoate

  • Molecular FormulaC29H24N4O5
  • Average mass508.525 Da
  • Monoisotopic mass508.174683 Da
  • ChemSpider ID12224621

More details:

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

4-{4-Hydroxy-3-[(5-méthyl-1-phényl-1H-pyrazol-4-yl)carbonyl]-5-oxo-1-(3-pyridinylméthyl)-2,5-dihydro-1H-pyrrol-2-yl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2,5-dihydro-4-hydroxy-3-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-5-oxo-1-(3-pyridinylmethyl)-1H-pyrrol-2-yl]-, methyl ester [ACD/Index Name]
Methyl 4-{4-hydroxy-3-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-5-oxo-1-(3-pyridinylmethyl)-2,5-dihydro-1H-pyrrol-2-yl}benzoate [ACD/IUPAC Name]
Methyl 4-{4-hydroxy-3-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Methyl-4-{4-hydroxy-3-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-5-oxo-1-(3-pyridinylmethyl)-2,5-dihydro-1H-pyrrol-2-yl}benzoat [German] [ACD/IUPAC Name]
4-[4-Hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-1-pyridin-3-ylmethyl-2,5-dihydro-1H-pyrrol-2-yl]-benzoic acid methyl ester
methyl 4-(4-hydroxy-3-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate
methyl 4-[4-hydroxy-3-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-5-oxo-1-(3-pyridinylmethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate
methyl 4-{4-hydroxy-3-[(5-methyl-1-phenylpyrazol-4-yl)carbonyl]-5-oxo-1-(3-pyridylmethyl)-3-pyrrolin-2-yl}benzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 759.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 412.8±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 141.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 7.31
ACD/KOC (pH 5.5): 69.61
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.43
Polar Surface Area: 115 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 381.1±7.0 cm3

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