5-(4-Methoxyphenyl)-1-(4-methylphenyl)pyrazolidin-3-one
Basic information
- CAS
113463-19-7- Standard SMILES
COc1ccc(C2CC(=O)NN2c2ccc(C)cc2)cc1- InChIKey
JBVTVHALFNIDBG-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.13682782
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)-1-(4-methylphenyl)pyrazolidin-3-one
- IUPAC
- 5-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazolidin-3-one
Names & synonyms
113463-19-75-(4-Methoxyphenyl)-1-(p-tolyl)pyrazolidin-3-one5-(4-Methoxyphenyl)-1-(4-methylphenyl)pyrazolidin-3-oneDTXSID70545357
Database identifiers
- CAS
113463-19-7- PubChem CID
- 13627263
- DTXSID
DTXSID70545357
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
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