Basic information
- Standard SMILES
Cc1cccc(C(=O)O)c1-n1cccn1- InChIKey
YXZWVSIXBFPESW-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-2-(1H-pyrazol-1-YL)benzoic acid
- IUPAC
- 3-methyl-2-pyrazol-1-ylbenzoic acid
Names & synonyms
3-METHYL-2-(1H-PYRAZOL-1-YL)BENZOIC ACID1214622-58-83-methyl-2-pyrazol-1-ylbenzoic acidSCHEMBL1586230YXZWVSIXBFPESW-UHFFFAOYSA-NAKOS015841977DA-471573-METHYL-2-(1H-PYRAZOL-1-YL)BENZOICACIDA1-10330
Database identifiers
- PubChem CID
- 53409761
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Related reactions
4 records
Compound notes
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