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4-[5-HYDROXY-3-(4-METHOXYPHENYL)-5-TRIFLUOROMETHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-7-CHLOROQUINOLINE
SpectraBase Compound ID FjilAjEjxSa
InChI InChI=1S/C20H15ClF3N3O2/c1-29-14-5-2-12(3-6-14)17-11-19(28,20(22,23)24)27(26-17)18-8-9-25-16-10-13(21)4-7-15(16)18/h2-10,28H,11H2,1H3
InChIKey VSCIJHMMNMXEBH-UHFFFAOYSA-N
Mol Weight 421.81 g/mol
Molecular Formula C20H15ClF3N3O2
Exact Mass 421.080489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49lJffZUusG
Name 4-[5'-Hydroxy-3'-(p-methoxyphenyl)-5'-(trifluoromethyl)-4',5'-dihydro-1H-pyrazol-1'-yl]-7-chloroquinoline
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Formula C20H15ClF3N3O2
InChI InChI=1S/C20H15ClF3N3O2/c1-29-14-5-2-12(3-6-14)17-11-19(28,20(22,23)24)27(26-17)18-8-9-25-16-10-13(21)4-7-15(16)18/h2-10,28H,11H2,1H3
InChIKey VSCIJHMMNMXEBH-UHFFFAOYSA-N
Molecular Weight 421.807 g/mol
SMILES OC1(N(N=C(C1)c1ccc(cc1)OC)c1c2c(cc(cc2)Cl)ncc1)C(F)(F)F
SPLASH splash10-0udi-0101900000-e5ea81b03d0603710b9f
Source of Spectrum AJ-42-1058-2
Synonyms 1-(7-Chloro-4-quinolinyl)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol 2-(7-Chloro-4-quinolinyl)-5-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol 2-(7-Chloroquinolin-4-yl)-5-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol 2-(7-Chloro-4-quinolyl)-5-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol 2-(7-Chloranylquinolin-4-yl)-5-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
Wiley ID 1568151