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

HCID 46202063

Basic information

Standard SMILES
COc1ccc(S(=O)(=O)N2CCC(N3N=C(c4ccc(OC)c(OC)c4)C(C)(C)C3=O)CC2)cc1
InChIKey
JLHVSLZYQAIRSS-UHFFFAOYSA-N
Molecular formula
C25H31N3O6S
Average molar mass
501.6 g/mol

Names & identifiers

Preferred name
5-(3,4-Dimethoxyphenyl)-2-{1-[(4-methoxyphenyl)sulfonyl]piperidin-4-yl}-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
IUPAC
5-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4,4-dimethylpyrazol-3-one

Names & synonyms

SCHEMBL2324720JLHVSLZYQAIRSS-UHFFFAOYSA-N5-(3,4-Dimethoxyphenyl)-2-{1-[(4-methoxyphenyl)sulfonyl]piperidin-4-yl}-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one

Database identifiers

PubChem CID
46202063

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
106 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
35

Related reactions

3 records

Compound notes

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