ChemSpider 2D Image | 5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide | C21H18N6O3

5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC21H18N6O3
  • Average mass402.406 Da
  • Monoisotopic mass402.144043 Da
  • ChemSpider ID25058252

More details:






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

1H-Pyrazole-4-carboxamide, 5-amino-N-[5-[(3-isoxazolylamino)carbonyl]-2-methylphenyl]-1-phenyl- [ACD/Index Name]
5-Amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
5-Amino-N-[2-méthyl-5-(1,2-oxazol-3-ylcarbamoyl)phényl]-1-phényl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide
OCG

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

Density: 1.4±0.1 g/cm3
Boiling Point: 535.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.9±30.1 °C
Index of Refraction: 1.706
Molar Refractivity: 110.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.12
ACD/KOC (pH 5.5): 287.66
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.12
ACD/KOC (pH 7.4): 287.65
Polar Surface Area: 128 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 283.0±7.0 cm3

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