Basic information
- Standard SMILES
COc1ccc(C2=NN(C)C(=O)C2)cc1OC- InChIKey
SYIHKMOPWDYBOS-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
Names & identifiers
- Preferred name
- 3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5(4H)-one
- IUPAC
- 5-(3,4-dimethoxyphenyl)-2-methyl-4H-pyrazol-3-one
Names & synonyms
SCHEMBL15057911SYIHKMOPWDYBOS-UHFFFAOYSA-N3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5(4H)-one
Database identifiers
- PubChem CID
- 89649970
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 330
Related reactions
3 records
Compound notes
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