5-(3,4-Dimethoxyphenyl)-2-{1-[(5-hydroxy-2-methylphenyl)carbonyl]piperidin-4-yl}-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one

HCID 46202067

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

Related reactions

18 records

Compound notes

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