ChemSpider 2D Image | N-{3-Fluoro-4-[(7-methoxy-4-quinolinyl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | C30H27FN4O5

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

  • Molecular FormulaC30H27FN4O5
  • Average mass542.558 Da
  • Monoisotopic mass542.196533 Da
  • ChemSpider ID23329095
  • defined stereocentres - 1 of 1 defined stereocentres


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-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl- [ACD/Index Name]
N-{3-Fluor-4-[(7-methoxy-4-chinolinyl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-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-[(2R)-2-hydroxypropyl]-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-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
(R)-N-(3-fluoro-4-(7-methoxyquinolin-4-yloxy)phenyl)-1-(2-hydroxypropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
044
N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
Substituted Pyrazolone, 4

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 148.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 90.03
ACD/KOC (pH 5.5): 761.08
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 144.19
ACD/KOC (pH 7.4): 1219.00
Polar Surface Area: 104 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 397.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement