Chem
J-GLOBAL ID：200907097388341924   Nikkaji number：J1.026.878H

4,5-Dihydro-1-(thiocarbamoyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-5-ol

3-(4-メチルフェニル)-5-ヒドロキシ-5-(トリフルオロメチル)-4,5-ジヒドロ-1H-ピラゾール-1-カルボチオアミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H12F3N3OS
Molecular formula furigana： C12-H12-F3-N3-O-S
Molecular weight： 303.300
InChI： InChI=1S/C12H12F3N3OS/c1-7-2-4-8(5-3-7)9-6-11(19,12(13,14)15)18(17-9)10(16)20/h2-5,19H,6H2,1H3,(H2,16,20)
InChI key： GCAIZWWIHDNAQG-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)C1=NN(C(=S)N)C(O)(C1)C(F)(F)F
Systematic name  (4)：
  • 4,5-ジヒドロ-1-(チオカルバモイル)-3-(4-メチルフェニル)-5-(トリフルオロメチル)-1H-ピラゾール-5-オール
  • 3-(4-メチルフェニル)-5-ヒドロキシ-5-(トリフルオロメチル)-4,5-ジヒドロ-1H-ピラゾール-1-カルボチオアミド
  • 5-ヒドロキシ-3-(4-メチルフェニル)-5-(トリフルオロメチル)-4,5-ジヒドロ-1H-ピラゾール-1-カルボチオアミド
  • 5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Other name (2)：
  • 4,5-Dihydro-1-(thiocarbamoyl)-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-5-ol
  • 3-(4-Methylphenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
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