Basic information
- CAS
114669-16-8- Standard SMILES
Cc1cc(=O)n(-c2cccc3ccccc23)n1C- InChIKey
BUPIQOCJYDWKIM-UHFFFAOYSA-N- Molecular formula
- C15H14N2O
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.11061307
Names & identifiers
- Preferred name
- 1,5-Dimethyl-2-(naphthalen-1-yl)-1H-pyrazol-3(2H)-one
- IUPAC
- 1,5-dimethyl-2-naphthalen-1-ylpyrazol-3-one
Names & synonyms
114669-16-81,5-Dimethyl-2-(naphthalen-1-yl)-1H-pyrazol-3(2H)-one1,5-dimethyl-2-(naphthalen-1-yl)-2,3-dihydro-1H-pyrazol-3-oneDTXSID006017131,5-Dimethyl-2-(naphthalen-1-yl)-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
114669-16-8- PubChem CID
- 19990010
- DTXSID
DTXSID00601713
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…