Basic information
- Standard SMILES
COc1ccc(COc2cc(C(=O)O)nn2C)cc1- InChIKey
PYYBNGQSVPZXMM-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Names & identifiers
- Preferred name
- 5-(4-Methoxybenzyloxy)-1-methyl-1H-pyrazole-3-carboxylic Acid
- IUPAC
- 5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole-3-carboxylic acid
Names & synonyms
SCHEMBL17011149PYYBNGQSVPZXMM-UHFFFAOYSA-N5-(4-Methoxybenzyloxy)-1-methyl-1H-pyrazole-3-carboxylic Acid5-(4-Methoxy-benzyloxy)-1-methyl-1H-pyrazole-3-carboxylic acid
Database identifiers
- PubChem CID
- 86705138
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Related reactions
2 records
Compound notes
Loading…