1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid

C9H11N3O3 — CID 177305519

IUPAC1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCn1cc(N2C(=O)CCC2C(=O)O)cn1
InChIInChI=1S/C9H11N3O3/c1-11-5-6(4-10-11)12-7(9(14)15)2-3-8(12)13/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeyUDCNMCQQEJVSNJ-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.00
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid

1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 177305519) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID177305519
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCn1cc(N2C(=O)CCC2C(=O)O)cn1
InChIInChI=1S/C9H11N3O3/c1-11-5-6(4-10-11)12-7(9(14)15)2-3-8(12)13/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeyUDCNMCQQEJVSNJ-UHFFFAOYSA-N
XLogP0.00
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid (CID 177305519) is 1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid is Cn1cc(N2C(=O)CCC2C(=O)O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is UDCNMCQQEJVSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-11-5-6(4-10-11)12-7(9(14)15)2-3-8(12)13/h4-5,7H,2-3H2,1H3,(H,14,15).
What are the key properties of 1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid?
1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 177305519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).