Basic information
- Standard SMILES
Cn1ncc(Nc2ccc(F)cc2)c1C(=O)O- InChIKey
CHCYVNBROLQIKQ-UHFFFAOYSA-N- Molecular formula
- C11H10FN3O2
- Average molar mass
- 235.21 g/mol
- Monoisotopic mass
- 235.07570473
Names & identifiers
- Preferred name
- 4-[(4-fluorophenyl)amino]-1-methyl-1H-pyrazole-5-carboxylic acid
- IUPAC
- 4-(4-fluoroanilino)-1-methylpyrazole-5-carboxylic acid
Names & synonyms
SCHEMBL6785353CHCYVNBROLQIKQ-UHFFFAOYSA-N4-[(4-fluorophenyl)amino]-1-methyl-1H-pyrazole-5-carboxylic acid
Database identifiers
- PubChem CID
- 12985693
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Related reactions
4 records
Linked notes
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