4-Methyl-2-[5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid
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Basic information
- CAS
1227954-84-8- Standard SMILES
Cc1nc(-n2nccc2C(F)(F)F)sc1C(=O)O- InChIKey
JTOQPWULSOLSOC-UHFFFAOYSA-N- Molecular formula
- C9H6F3N3O2S
- Average molar mass
- 277.23 g/mol
- Monoisotopic mass
- 277.0132821
Names & identifiers
- Preferred name
- 4-Methyl-2-[5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid
- IUPAC
- 4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid
- English name
- 4-Methyl-2-[5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid
- Molecular formula
- C9H6F3N3O2S
- Molecular weight
- 277.22
Names & synonyms
1227954-84-84-Methyl-2-(5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole-5-carboxylic acid4-Methyl-2-[5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-5-carboxylic acidMFCD118462684-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acidAKOS027448006AS-9870H832364-Methyl-2-(5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole-5-carboxylicacid4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]thiazole-5-carboxylic acid5-Thiazolecarboxylic acid, 4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-1-yl]-
Database identifiers
- CAS
1227954-84-8- PubChem CID
- 75365579
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- HS Code
- 2934100090 · 2934100090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934100090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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