Basic information
- Standard SMILES
Cc1cc(Nc2ccccc2C(=O)O)n(-c2ccncc2)n1- InChIKey
JFAUGPBHDVWIJW-UHFFFAOYSA-N- Molecular formula
- C16H14N4O2
- Average molar mass
- 294.31 g/mol
- Monoisotopic mass
- 294.1116757
Names & identifiers
- Preferred name
- 2-[[3-Methyl-1-(4-pyridinyl)-1H-pyrazol-5-yl]amino]benzoic acid
- IUPAC
- 2-[(5-methyl-2-pyridin-4-ylpyrazol-3-yl)amino]benzoic acid
Names & synonyms
SCHEMBL6343958JFAUGPBHDVWIJW-UHFFFAOYSA-N2-[[3-Methyl-1-(4-pyridinyl)-1H-pyrazol-5-yl]amino]benzoic acid
Database identifiers
- PubChem CID
- 22320227
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 386
Related reactions
1 records
Compound notes
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