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Search term: MDZYTUFJKIFAKF (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-{3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}-4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanamide | C26H26FN7O2

N-{3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}-4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanamide

  • Molecular FormulaC26H26FN7O2
  • Average mass487.529 Da
  • Monoisotopic mass487.213196 Da
  • ChemSpider ID33670276

More details:






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

1H-Pyrazole-1-butanamide, N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl]-4,5-dihydro-γ-oxo-3-phenyl- [ACD/Index Name]
N-{3-[5-Amino-4-cyan-1-(4-fluorphenyl)-1H-pyrazol-3-yl]propyl}-4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanamid [German] [ACD/IUPAC Name]
N-{3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}-4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanamide [ACD/IUPAC Name]
N-{3-[5-Amino-4-cyano-1-(4-fluorophényl)-1H-pyrazol-3-yl]propyl}-4-oxo-4-(3-phényl-4,5-dihydro-1H-pyrazol-1-yl)butanamide [French] [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: 1.663
Molar Refractivity: 134.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.33
ACD/KOC (pH 5.5): 321.47
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.33
ACD/KOC (pH 7.4): 321.47
Polar Surface Area: 129 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 363.3±7.0 cm3

Click to predict properties on the Chemicalize site






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