Basic information
- Standard SMILES
Cc1ccc(C(=O)O)cc1-n1ncc(C(=O)c2ccccc2)c1N- InChIKey
VTWKMMRTCFYHHB-UHFFFAOYSA-N- Molecular formula
- C18H15N3O3
- Average molar mass
- 321.3 g/mol
Names & identifiers
- Preferred name
- 3-(5-amino-4-benzoyl-1H-pyrazol-1-yl)-4-methylbenzoic acid
- IUPAC
- 3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzoic acid
Names & synonyms
3-(5-amino-4-benzoyl-1H-pyrazol-1-yl)-4-methylbenzoic acid836682-63-4SCHEMBL1382263VTWKMMRTCFYHHB-UHFFFAOYSA-N3-(5-amino-4-benzoyl-pyrazol-1-yl)-4-methyl-benzoic AcidDB-330772
Database identifiers
- PubChem CID
- 11209438
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Related reactions
10 records
Compound notes
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