Basic information
- Standard SMILES
N#Cc1ccc(C(=O)O)cc1-n1cccn1- InChIKey
CVPAXFADOBVAQI-UHFFFAOYSA-N- Molecular formula
- C11H7N3O2
- Average molar mass
- 213.19 g/mol
Names & identifiers
- Preferred name
- 4-cyano-3-(1H-pyrazol-1-yl)benzoic acid
- IUPAC
- 4-cyano-3-pyrazol-1-ylbenzoic acid
Names & synonyms
4-cyano-3-(1H-pyrazol-1-yl)benzoic acidSCHEMBL1275515CVPAXFADOBVAQI-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 66973751
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
Related reactions
1 records
Compound notes
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