ChemSpider 2D Image | N-[4-(1H-Benzimidazol-1-yl)-2-fluorophenyl]-1-(3-carbamimidoylphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | C25H17F4N7O

N-[4-(1H-Benzimidazol-1-yl)-2-fluorophenyl]-1-(3-carbamimidoylphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

  • Molecular FormulaC25H17F4N7O
  • Average mass507.442 Da
  • Monoisotopic mass507.143066 Da
  • ChemSpider ID4449821

More details:

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

1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE
1H-Pyrazole-5-carboxamide, 1-[3-(aminoiminomethyl)phenyl]-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-[4-(1H-Benzimidazol-1-yl)-2-fluorophenyl]-1-(3-carbamimidoylphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
N-[4-(1H-Benzimidazol-1-yl)-2-fluorophényl]-1-(3-carbamimidoylphényl)-3-(trifluorométhyl)-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
N-[4-(1H-Benzimidazol-1-yl)-2-fluorphenyl]-1-(3-carbamimidoylphenyl)-3-(trifluormethyl)-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (4-benzoimidazol-1-yl-2-fluoro-phenyl)-amide
pyrazole analog 3b

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

187 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 126.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 12.02
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 12.97
Polar Surface Area: 115 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 335.4±7.0 cm3

Click to predict properties on the Chemicalize site


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