Basic information
- Standard SMILES
Cc1sc(-c2cccc(C(F)(F)F)c2F)nc1Cn1cc(C(=O)O)cn1- InChIKey
HFXJDFUTCVGWAQ-UHFFFAOYSA-N- Molecular formula
- C16H11F4N3O2S
- Average molar mass
- 385.3 g/mol
Names & identifiers
- Preferred name
- 1-({2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl}methyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-[[2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxylic acid
Names & synonyms
1-({2-[2-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl}methyl)-1H-pyrazole-4-carboxylic acidSCHEMBL1197772CHEMBL3930745SCHEMBL30617732
Database identifiers
- PubChem CID
- 44251685
- ChEMBL
CHEMBL3930745
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 524
Related reactions
2 records
Compound notes
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