1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione

C11H15N3O2 — CID 79515452

IUPAC1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione
SMILESCC(C)n1cc(N2CCC(=O)CC2=O)cn1
InChIInChI=1S/C11H15N3O2/c1-8(2)14-7-9(6-12-14)13-4-3-10(15)5-11(13)16/h6-8H,3-5H2,1-2H3
InChIKeyKRZOJLIHBYRZEO-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.16
Rot. Bonds2

About 1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione

1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione (PubChem CID 79515452) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione
PubChem CID79515452
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione
SMILESCC(C)n1cc(N2CCC(=O)CC2=O)cn1
InChIInChI=1S/C11H15N3O2/c1-8(2)14-7-9(6-12-14)13-4-3-10(15)5-11(13)16/h6-8H,3-5H2,1-2H3
InChIKeyKRZOJLIHBYRZEO-UHFFFAOYSA-N
XLogP1.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione 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-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione?
The IUPAC name of 1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione (CID 79515452) is 1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione is CC(C)n1cc(N2CCC(=O)CC2=O)cn1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione?
The InChIKey is KRZOJLIHBYRZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(2)14-7-9(6-12-14)13-4-3-10(15)5-11(13)16/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione?
1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione has a molecular weight of 221.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-4-yl)piperidine-2,4-dione is sourced from PubChem (CID 79515452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).