ChemSpider 2D Image | [4-(3-{5-[(2,3-Dihydro-1-benzofuran-5-ylmethyl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl]methanaminium | C25H23F3N5O2

[4-(3-{5-[(2,3-Dihydro-1-benzofuran-5-ylmethyl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl]methanaminium

  • Molecular FormulaC25H23F3N5O2
  • Average mass482.477 Da
  • Monoisotopic mass482.179840 Da
  • ChemSpider ID34974476

  • Charge - Charge

More details:

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

[4-(3-{5-[(2,3-Dihydro-1-benzofuran-5-ylmethyl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrazol-4-yl)-2-(trifluormethyl)phenyl]methanaminium [German] [ACD/IUPAC Name]
[4-(3-{5-[(2,3-Dihydro-1-benzofuran-5-ylmethyl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl]methanaminium [ACD/IUPAC Name]
[4-(3-{5-[(2,3-Dihydro-1-benzofuran-5-ylméthyl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrazol-4-yl)-2-(trifluorométhyl)phényl]méthanaminium [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxamide, 4-[4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-N-[(2,3-dihydro-5-benzofuranyl)methyl]-, conjugate monoacid [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 717.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.5±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.61
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 21.81
ACD/KOC (pH 7.4): 175.15
Polar Surface Area: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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