2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid

C9H11N3O3 — CID 146598087

IUPAC2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cn[nH]c2)C1=O
InChIInChI=1S/C9H11N3O3/c13-8-7(9(14)15)2-1-3-12(8)6-4-10-11-5-6/h4-5,7H,1-3H2,(H,10,11)(H,14,15)
InChIKeyZXPBFYKZPOGRMU-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.24
Rot. Bonds2

About 2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid

2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid (PubChem CID 146598087) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid
PubChem CID146598087
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cn[nH]c2)C1=O
InChIInChI=1S/C9H11N3O3/c13-8-7(9(14)15)2-1-3-12(8)6-4-10-11-5-6/h4-5,7H,1-3H2,(H,10,11)(H,14,15)
InChIKeyZXPBFYKZPOGRMU-UHFFFAOYSA-N
XLogP0.24
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-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 2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid (CID 146598087) is 2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2cn[nH]c2)C1=O.
What is the InChIKey of 2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid?
The InChIKey is ZXPBFYKZPOGRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-8-7(9(14)15)2-1-3-12(8)6-4-10-11-5-6/h4-5,7H,1-3H2,(H,10,11)(H,14,15).
What are the key properties of 2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid?
2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 146598087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).