5-(4-Methoxyphenyl)-1-phenylpyrazolidin-3-one
Basic information
- CAS
113463-18-6- Standard SMILES
COc1ccc(C2CC(=O)NN2c2ccccc2)cc1- InChIKey
NWLRTGYZLUPQRM-UHFFFAOYSA-N- Molecular formula
- C16H16N2O2
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.12117776
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)-1-phenylpyrazolidin-3-one
- IUPAC
- 5-(4-methoxyphenyl)-1-phenylpyrazolidin-3-one
Names & synonyms
5-(4-Methoxyphenyl)-1-phenylpyrazolidin-3-one113463-18-6DTXSID10545356RefChem:299992DTXCID40496140
Database identifiers
- CAS
113463-18-6- PubChem CID
- 13627261
- DTXSID
DTXSID10545356
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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