3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione

C11H15N3O2 — CID 170144935

IUPAC3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione
SMILESCC(C)n1cc(C2CCC(=O)NC2=O)cn1
InChIInChI=1S/C11H15N3O2/c1-7(2)14-6-8(5-12-14)9-3-4-10(15)13-11(9)16/h5-7,9H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyKMSNIQCDGAXCOR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.98
Rot. Bonds2

About 3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione

3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione (PubChem CID 170144935) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione
PubChem CID170144935
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione
SMILESCC(C)n1cc(C2CCC(=O)NC2=O)cn1
InChIInChI=1S/C11H15N3O2/c1-7(2)14-6-8(5-12-14)9-3-4-10(15)13-11(9)16/h5-7,9H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyKMSNIQCDGAXCOR-UHFFFAOYSA-N
XLogP0.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione?
The IUPAC name of 3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione (CID 170144935) is 3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione is CC(C)n1cc(C2CCC(=O)NC2=O)cn1.
What is the InChIKey of 3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione?
The InChIKey is KMSNIQCDGAXCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(2)14-6-8(5-12-14)9-3-4-10(15)13-11(9)16/h5-7,9H,3-4H2,1-2H3,(H,13,15,16).
What are the key properties of 3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione?
3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione has a molecular weight of 221.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrazol-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 170144935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).