5-(3,4-dimethoxyphenyl)pyrazolidin-3-one

C11H14N2O3 — CID 22046088

IUPAC5-(3,4-dimethoxyphenyl)pyrazolidin-3-one
SMILESCOc1ccc(C2CC(=O)NN2)cc1OC
InChIInChI=1S/C11H14N2O3/c1-15-9-4-3-7(5-10(9)16-2)8-6-11(14)13-12-8/h3-5,8,12H,6H2,1-2H3,(H,13,14)
InChIKeyYTCFUAUMYVSBDS-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.77
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)pyrazolidin-3-one

5-(3,4-dimethoxyphenyl)pyrazolidin-3-one (PubChem CID 22046088) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)pyrazolidin-3-one
PubChem CID22046088
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-(3,4-dimethoxyphenyl)pyrazolidin-3-one
SMILESCOc1ccc(C2CC(=O)NN2)cc1OC
InChIInChI=1S/C11H14N2O3/c1-15-9-4-3-7(5-10(9)16-2)8-6-11(14)13-12-8/h3-5,8,12H,6H2,1-2H3,(H,13,14)
InChIKeyYTCFUAUMYVSBDS-UHFFFAOYSA-N
XLogP0.77
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
(5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one
CID 97015434
4-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 15521373
5-(2,3-dimethoxyphenyl)pyrazolidin-3-one
CID 4054499
(1S,3aS,4S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
CID 10364225
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 10882055
6-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)piperidine-2,4-dione
CID 58531813
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-[4-(3,4-dimethoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980138
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)pyrazolidin-3-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)pyrazolidin-3-one (CID 22046088) is 5-(3,4-dimethoxyphenyl)pyrazolidin-3-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)pyrazolidin-3-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)pyrazolidin-3-one is COc1ccc(C2CC(=O)NN2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)pyrazolidin-3-one?
The InChIKey is YTCFUAUMYVSBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-9-4-3-7(5-10(9)16-2)8-6-11(14)13-12-8/h3-5,8,12H,6H2,1-2H3,(H,13,14).
What are the key properties of 5-(3,4-dimethoxyphenyl)pyrazolidin-3-one?
5-(3,4-dimethoxyphenyl)pyrazolidin-3-one has a molecular weight of 222.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)pyrazolidin-3-one is sourced from PubChem (CID 22046088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).