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| IUPAC Name: | 2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid |
| Description: | 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic Acid (CAS# 128694-63-3) is used in preparation of arylaminopyridine carboxamides as vanin inhibitors for treatment of vanin-mediated diseases. |
| Molecular Weight: | 194.11 |
| Molecular Formula: | C6H5F3N2O2 |
| Canonical SMILES: | CN1C(=CC(=N1)C(F)(F)F)C(=O)O |
| InChI: | InChI=1S/C6H5F3N2O2/c1-11-3(5(12)13)2-4(10-11)6(7,8)9/h2H,1H3,(H,12,13) |
| InChI Key: | AQUQLOWJSBFHBD-UHFFFAOYSA-N |
| Boiling Point: | 288.8 °C at 760 mmHg |
| Density: | 1.56 g/cm3 |
| Solubility: | 20.1 [ug/mL] (The mean of the results at pH 7.4) |
| Appearance: | Solid |
| Storage: | Sealed in dry, Room Temperature |
| MDL: | MFCD02090853 |
| LogP: | 1.13710 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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