5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione

C11H12N2O3 — CID 86584620

IUPAC5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione
SMILESCOC1NN(c2ccc(C)cc2)C(=O)C1=O
InChIInChI=1S/C11H12N2O3/c1-7-3-5-8(6-4-7)13-11(15)9(14)10(12-13)16-2/h3-6,10,12H,1-2H3
InChIKeyQJKMVYKJPIHGCE-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.39
Rot. Bonds2

About 5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione

5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione (PubChem CID 86584620) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione.

Molecular Properties

Compound Name5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione
PubChem CID86584620
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione
SMILESCOC1NN(c2ccc(C)cc2)C(=O)C1=O
InChIInChI=1S/C11H12N2O3/c1-7-3-5-8(6-4-7)13-11(15)9(14)10(12-13)16-2/h3-6,10,12H,1-2H3
InChIKeyQJKMVYKJPIHGCE-UHFFFAOYSA-N
XLogP0.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(Hydroxymethyl)-4-methyl-1-(4-methylphenyl)pyrazolidin-3-one
CID 3018658
4,4-Dimethyl-1-(4-methylphenyl)-5-propoxypyrazolidin-3-one
CID 278917
4,4-Bis(hydroxymethyl)-1-(4-methylphenyl)pyrazolidin-3-one
CID 19360978
1-(4-Ethylphenyl)-4-(hydroxymethyl)-4-methylpyrazolidin-3-one
CID 23463289
5-Methoxy-2-(4-methylphenyl)pyrazole-3,4-dione
CID 15351163
5-Ethoxy-2-(4-methylphenyl)pyrazole-3,4-dione
CID 15351164
4-(Hydroxymethyl)-4-methyl-2-(4-methylphenyl)pyrazolidin-3-one
CID 19934295
5-Methyl-2-(4-methylphenyl)pyrazolidin-3-one
CID 20362028
5-Methoxy-4,4-dimethyl-1-(4-methylphenyl)pyrazolidin-3-one
CID 21562036
4,4-Dimethyl-1-(4-methylphenyl)-5-propan-2-yloxypyrazolidin-3-one
CID 21562042
5-Ethoxy-4,4-dimethyl-1-(4-methylphenyl)pyrazolidin-3-one
CID 21562050
5-Butoxy-4,4-dimethyl-1-(4-methylphenyl)pyrazolidin-3-one
CID 21562058

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione?
The IUPAC name of 5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione (CID 86584620) is 5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione.
What is the SMILES notation for 5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione?
The canonical SMILES for 5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione is COC1NN(c2ccc(C)cc2)C(=O)C1=O.
What is the InChIKey of 5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione?
The InChIKey is QJKMVYKJPIHGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-3-5-8(6-4-7)13-11(15)9(14)10(12-13)16-2/h3-6,10,12H,1-2H3.
What are the key properties of 5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione?
5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione has a molecular weight of 220.23 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione is sourced from PubChem (CID 86584620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).