3-(1H-pyrazol-4-yl)piperidine-2,6-dione

C8H9N3O2 — CID 166739211

IUPAC3-(1H-pyrazol-4-yl)piperidine-2,6-dione
SMILESO=C1CCC(c2cn[nH]c2)C(=O)N1
InChIInChI=1S/C8H9N3O2/c12-7-2-1-6(8(13)11-7)5-3-9-10-4-5/h3-4,6H,1-2H2,(H,9,10)(H,11,12,13)
InChIKeyKWUBEHLVHCUJSB-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.07
Rot. Bonds1

About 3-(1H-pyrazol-4-yl)piperidine-2,6-dione

3-(1H-pyrazol-4-yl)piperidine-2,6-dione (PubChem CID 166739211) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)piperidine-2,6-dione
PubChem CID166739211
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3-(1H-pyrazol-4-yl)piperidine-2,6-dione
SMILESO=C1CCC(c2cn[nH]c2)C(=O)N1
InChIInChI=1S/C8H9N3O2/c12-7-2-1-6(8(13)11-7)5-3-9-10-4-5/h3-4,6H,1-2H2,(H,9,10)(H,11,12,13)
InChIKeyKWUBEHLVHCUJSB-UHFFFAOYSA-N
XLogP-0.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione
CID 118889077
1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione
CID 134175738
1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone
CID 155764615
(4S)-4-(1H-pyrazol-4-yl)piperidin-2-one
CID 156260979
(4R)-4-(1H-pyrazol-4-yl)piperidin-2-one
CID 156260980
5-(1H-pyrazol-4-yl)piperidin-3-one
CID 157463925
4-[1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-4-yl]butylurea
CID 166835201
3-(1-Propan-2-ylpyrazol-4-yl)piperidine-2,6-dione
CID 170144935
3-(1-Tert-butylpyrazol-4-yl)piperidine-2,6-dione
CID 170280502
3-(1H-Pyrazol-4-yl)piperidin-4-one
CID 82414579
N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide
CID 86773436

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)piperidine-2,6-dione?
The IUPAC name of 3-(1H-pyrazol-4-yl)piperidine-2,6-dione (CID 166739211) is 3-(1H-pyrazol-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(1H-pyrazol-4-yl)piperidine-2,6-dione is O=C1CCC(c2cn[nH]c2)C(=O)N1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)piperidine-2,6-dione?
The InChIKey is KWUBEHLVHCUJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-7-2-1-6(8(13)11-7)5-3-9-10-4-5/h3-4,6H,1-2H2,(H,9,10)(H,11,12,13).
What are the key properties of 3-(1H-pyrazol-4-yl)piperidine-2,6-dione?
3-(1H-pyrazol-4-yl)piperidine-2,6-dione has a molecular weight of 179.18 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 166739211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).