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Search term: LRJGICFBUGSISP-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(4-Methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one | C21H19F3N4O2

1-(4-Methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one

  • Molecular FormulaC21H19F3N4O2
  • Average mass416.396 Da
  • Monoisotopic mass416.145996 Da
  • ChemSpider ID23299456

More details:

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

1-(4-Methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluormethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-on [German] [ACD/IUPAC Name]
1-(4-Methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one [ACD/IUPAC Name]
1-(4-Méthoxyphényl)-6-[4-(méthylamino)phényl]-3-(trifluorométhyl)-1,4,5,6-tétrahydro-7H-pyrazolo[3,4-c]pyridin-7-one [French] [ACD/IUPAC Name]
7H-Pyrazolo[3,4-c]pyridin-7-one, 1,4,5,6-tetrahydro-1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)- [ACD/Index Name]
1-(4-methoxyphenyl)-6-(4-(methylamino)-phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL391876/
trifluoromethylpyrazole analogue, 36c

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

Density: 1.4±0.1 g/cm3
Boiling Point: 581.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.4±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 105.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 117.25
ACD/KOC (pH 5.5): 1023.08
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.85
ACD/KOC (pH 7.4): 1133.01
Polar Surface Area: 59 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 303.5±7.0 cm3

Click to predict properties on the Chemicalize site


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