Basic information
- Standard SMILES
Cc1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1- InChIKey
LKBZHRSAENXIOI-UHFFFAOYSA-N- Molecular formula
- C16H13N3O2
- Average molar mass
- 279.29 g/mol
Names & identifiers
- Preferred name
- 2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
- IUPAC
- 2-[5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
Names & synonyms
US9714230, 12CHEMBL4227799SCHEMBL15778399LKBZHRSAENXIOI-UHFFFAOYSA-NBDBM2639422-(5-p-tolyl-1H-pyrazol-1- yl)isonicotinic acid2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
Database identifiers
- PubChem CID
- 76901247
- ChEMBL
CHEMBL4227799
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Related reactions
2 records
Compound notes
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