Basic information
- Standard SMILES
COc1ccc(Cn2cc(O)c(C(C)=O)n2)cc1- InChIKey
CFDAHIXYNSCTLG-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
Names & identifiers
- Preferred name
- 1-(4-hydroxy-1-(4-methoxybenzyl)-1H-pyrazol-3-yl)ethanone
- IUPAC
- 1-[4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethanone
Names & synonyms
1-(4-hydroxy-1-(4-methoxybenzyl)-1H-pyrazol-3-yl)ethanoneSCHEMBL899018CFDAHIXYNSCTLG-UHFFFAOYSA-NDB-1318821370448-79-5
Database identifiers
- PubChem CID
- 66835404
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
2 records
Compound notes
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