Basic information
- CAS
1221-34-7- Standard SMILES
CCCOC1N(c2ccc(C)cc2)NC(=O)C1(C)C- InChIKey
PHEGOFFINWTBQQ-UHFFFAOYSA-N- Molecular formula
- C15H22N2O2
- Average molar mass
- 262.35 g/mol
- Monoisotopic mass
- 262.16812795
Names & identifiers
- Preferred name
- 4,4-Dimethyl-1-(4-methylphenyl)-5-propoxypyrazolidin-3-one
- IUPAC
- 4,4-dimethyl-1-(4-methylphenyl)-5-propoxypyrazolidin-3-one
Names & synonyms
1221-34-74,4-Dimethyl-5-propoxy-1-(p-tolyl)pyrazolidin-3-one4,4-dimethyl-1-(4-methylphenyl)-5-propoxypyrazolidin-3-oneNSC128865SCHEMBL11864240DTXSID30299243NSC-128865
Database identifiers
- CAS
1221-34-7- PubChem CID
- 278917
- DTXSID
DTXSID30299243
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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