1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid

C10H11N3O4 — CID 54905266

IUPAC1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid
SMILESCC1CC(=O)N(c2c(C(=O)O)cnn2C)C1=O
InChIInChI=1S/C10H11N3O4/c1-5-3-7(14)13(9(5)15)8-6(10(16)17)4-11-12(8)2/h4-5H,3H2,1-2H3,(H,16,17)
InChIKeyIZXAFMGQNDOIIH-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.02
Rot. Bonds2

About 1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid

1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid (PubChem CID 54905266) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid
PubChem CID54905266
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid
SMILESCC1CC(=O)N(c2c(C(=O)O)cnn2C)C1=O
InChIInChI=1S/C10H11N3O4/c1-5-3-7(14)13(9(5)15)8-6(10(16)17)4-11-12(8)2/h4-5H,3H2,1-2H3,(H,16,17)
InChIKeyIZXAFMGQNDOIIH-UHFFFAOYSA-N
XLogP0.02
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid (CID 54905266) is 1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid is CC1CC(=O)N(c2c(C(=O)O)cnn2C)C1=O.
What is the InChIKey of 1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid?
The InChIKey is IZXAFMGQNDOIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-5-3-7(14)13(9(5)15)8-6(10(16)17)4-11-12(8)2/h4-5H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid?
1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 54905266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).