Basic information
- Standard SMILES
COc1ccc(C2=NN(C3CCN(C(=O)c4cc(O)ccc4C)CC3)C(=O)C2(C)C)cc1OC- InChIKey
BHKFQBWHJXGVSH-UHFFFAOYSA-N- Molecular formula
- C26H31N3O5
- Average molar mass
- 465.5 g/mol
- Monoisotopic mass
- 465.2263711
Names & identifiers
- Preferred name
- 5-(3,4-Dimethoxyphenyl)-2-{1-[(5-hydroxy-2-methylphenyl)carbonyl]piperidin-4-yl}-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 5-(3,4-dimethoxyphenyl)-2-[1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-4,4-dimethylpyrazol-3-one
Names & synonyms
SCHEMBL2324253BHKFQBWHJXGVSH-UHFFFAOYSA-N5-(3,4-Dimethoxyphenyl)-2-{1-[(5-hydroxy-2-methylphenyl)carbonyl]piperidin-4-yl}-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- PubChem CID
- 46202067
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 791
Related reactions
18 records
Compound notes
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