5-(3,4-dimethoxyphenyl)-4,4-diethyl-2-piperidin-4-yl-2,4-dihydro-3H-pyrazol-3-one

HCID 66616474

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCC1(CC)C(=O)N(C2CCNCC2)N=C1c1ccc(OC)c(OC)c1
InChIKey: MBAWRMPLBUGRBU-UHFFFAOYSA-N
Molecular formula: C20H29N3O3
Average molar mass: 359.5 g/mol

Names & identifiers

Preferred name: 5-(3,4-dimethoxyphenyl)-4,4-diethyl-2-piperidin-4-yl-2,4-dihydro-3H-pyrazol-3-one
IUPAC: 5-(3,4-dimethoxyphenyl)-4,4-diethyl-2-piperidin-4-ylpyrazol-3-one

Names & synonyms

SCHEMBL2324391MBAWRMPLBUGRBU-UHFFFAOYSA-N5-(3,4-dimethoxyphenyl)-4,4-diethyl-2-piperidin-4-yl-2,4-dihydro-3H-pyrazol-3-one

Database identifiers

PubChem CID: 66616474

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 63.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 526

Related reactions

8 records

New reaction record

HRID 87124As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 312569As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 524246As reactantuspto-grants-2016_05

HRID 524276As reactantuspto-grants-2016_05

HRID 524299As productuspto-grants-2016_05

HRID 1914174As reactantuspto-grants-2013_12

HRID 1914204As reactantuspto-grants-2013_12

HRID 1914227As productuspto-grants-2013_12

Compound notes

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