Vitas-M small molecule compound

1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

Catalog ID
STK315878
SMILES OC(=O)c1cc(nn1C)C(F)(F)F

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C6H5F3N2O2 MW 194.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H5F3N2O2/c1-11-3(5(12)13)2-4(10-11)6(7,8)9/h2H,1H3,(H,12,13)
InChIKey
AQUQLOWJSBFHBD-UHFFFAOYSA-N
Synonyms
128694-63-3
128694633
1HPYRAZOLE5CARBOXYLICACID1METHYL3(TRIFLUOROMETHYL)
1methyl3(trifluoromethyl)1Hpyrazole5carboxylicacid
1METHYL3(TRIFLUOROMETHYL)2HPYRAZOLE5CARBOXYLICACID
1METHYL3(TRIFLUOROMETHYL)PYRAZOLE5CARBOXYLICACID
1METHYL3TRIFLUOROMETHYL1HPYRAZOLE5CARBOXYLICACID
1METHYL3TRIFLUOROMETHYLPYRAZOLE5CARBOXYLICACID
2METHYL5(TRIFLUOROMETHYL)PYRAZOLE3CARBOXYLICACID
2METHYL5TRIFLUOROMETHYL2HPYRAZOLE3CARBOXYLICACID
CN1C(=CC(=N1)C(F)(F)F)C(=O)O
InChI=1SC6H5F3N2O2c1113(5(12)13)24(1011)6(78)9h2H1H3(H1213)
MFCD02090853
PYRAZOLE5CARBOXYLICACID3TRIFLUORROMETHYL1METHYL
ZINC000001042939
ZINC1042939

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.