Basic information
- CAS
61034-02-4- Standard SMILES
COc1ccc(C(=O)Cc2cnn(-c3ccccc3)c2)c(OC)c1- InChIKey
XCBFRUVFZZCVJE-UHFFFAOYSA-N- Molecular formula
- C19H18N2O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.13174244
Names & identifiers
- Preferred name
- Ethanone, 1-(2,4-dimethoxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)-
- IUPAC
- 1-(2,4-dimethoxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone
Names & synonyms
61034-02-41-(2,4-Dimethoxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanoneEthanone, 1-(2,4-dimethoxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)-DTXSID804856391-(2,4-Dimethoxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethan-1-one
Database identifiers
- CAS
61034-02-4- PubChem CID
- 12296406
- DTXSID
DTXSID80485639
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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