Basic information
- Standard SMILES
Cc1c(C(=O)O)c(-c2cncnc2)nn1-c1cccc(C(F)(F)F)c1- InChIKey
QZEFLBSISAEJBD-UHFFFAOYSA-N- Molecular formula
- C16H11F3N4O2
- Average molar mass
- 348.28 g/mol
Names & identifiers
- Preferred name
- 5-methyl-3-pyrimidin-5-yl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 5-methyl-3-pyrimidin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
Names & synonyms
5-methyl-3-pyrimidin-5-yl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-4-carboxylic acidSCHEMBL2201707
Database identifiers
- PubChem CID
- 67315210
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Related reactions
3 records
Compound notes
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