5-(2,3-dimethoxyphenyl)pyrazolidin-3-one

C11H14N2O3 — CID 4054499

IUPAC5-(2,3-dimethoxyphenyl)pyrazolidin-3-one
SMILESCOc1cccc(C2CC(=O)NN2)c1OC
InChIInChI=1S/C11H14N2O3/c1-15-9-5-3-4-7(11(9)16-2)8-6-10(14)13-12-8/h3-5,8,12H,6H2,1-2H3,(H,13,14)
InChIKeyVZVYUNOCKOJTNT-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.77
Rot. Bonds3

About 5-(2,3-dimethoxyphenyl)pyrazolidin-3-one

5-(2,3-dimethoxyphenyl)pyrazolidin-3-one (PubChem CID 4054499) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-(2,3-dimethoxyphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-(2,3-dimethoxyphenyl)pyrazolidin-3-one
PubChem CID4054499
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-(2,3-dimethoxyphenyl)pyrazolidin-3-one
SMILESCOc1cccc(C2CC(=O)NN2)c1OC
InChIInChI=1S/C11H14N2O3/c1-15-9-5-3-4-7(11(9)16-2)8-6-10(14)13-12-8/h3-5,8,12H,6H2,1-2H3,(H,13,14)
InChIKeyVZVYUNOCKOJTNT-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

(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171184846
4-(2,3-dimethoxyphenyl)pyrrolidin-2-one
CID 66106301
(4R)-4-(2,3-dimethoxyphenyl)imidazolidin-2-one
CID 171252494
(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
CID 171197120
5-(3,4-dimethoxyphenyl)pyrazolidin-3-one
CID 22046088
6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83822143
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 56698823
(4S)-4-(2,3-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171186239
(2S,3R)-2-(2,3-dimethoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 97034788
(3R,4S)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 56972004
1-[(1R,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558377

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxyphenyl)pyrazolidin-3-one?
The IUPAC name of 5-(2,3-dimethoxyphenyl)pyrazolidin-3-one (CID 4054499) is 5-(2,3-dimethoxyphenyl)pyrazolidin-3-one.
What is the SMILES notation for 5-(2,3-dimethoxyphenyl)pyrazolidin-3-one?
The canonical SMILES for 5-(2,3-dimethoxyphenyl)pyrazolidin-3-one is COc1cccc(C2CC(=O)NN2)c1OC.
What is the InChIKey of 5-(2,3-dimethoxyphenyl)pyrazolidin-3-one?
The InChIKey is VZVYUNOCKOJTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-9-5-3-4-7(11(9)16-2)8-6-10(14)13-12-8/h3-5,8,12H,6H2,1-2H3,(H,13,14).
What are the key properties of 5-(2,3-dimethoxyphenyl)pyrazolidin-3-one?
5-(2,3-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-(2,3-dimethoxyphenyl)pyrazolidin-3-one is sourced from PubChem (CID 4054499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).