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Search term: YMFWEIKNDBLHIR-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | N-{3-Fluoro-4-[(7-methoxy-4-quinolinyl)oxy]phenyl}-1-(2-hydroxy-3-methylbutyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | C32H31FN4O5

N-{3-Fluoro-4-[(7-methoxy-4-quinolinyl)oxy]phenyl}-1-(2-hydroxy-3-methylbutyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

  • Molecular FormulaC32H31FN4O5
  • Average mass570.611 Da
  • Monoisotopic mass570.227844 Da
  • ChemSpider ID28509162

More details:






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

1H-Pyrazole-4-carboxamide, N-[3-fluoro-4-[(7-methoxy-4-quinolinyl)oxy]phenyl]-2,3-dihydro-1-(2-hydroxy-3-methylbutyl)-5-methyl-3-oxo-2-phenyl- [ACD/Index Name]
N-{3-Fluor-4-[(7-methoxy-4-chinolinyl)oxy]phenyl}-1-(2-hydroxy-3-methylbutyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-{3-Fluoro-4-[(7-méthoxy-4-quinoléinyl)oxy]phényl}-1-(2-hydroxy-3-méthylbutyl)-5-méthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
N-{3-Fluoro-4-[(7-methoxy-4-quinolinyl)oxy]phenyl}-1-(2-hydroxy-3-methylbutyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 157.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 334.14
ACD/KOC (pH 5.5): 1946.94
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 534.11
ACD/KOC (pH 7.4): 3112.17
Polar Surface Area: 104 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 430.9±3.0 cm3

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