1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione

C10H13N3O2 — CID 118889077

IUPAC1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCc1cn[nH]c1
InChIInChI=1S/C10H13N3O2/c14-9-2-1-3-10(15)13(9)5-4-8-6-11-12-7-8/h6-7H,1-5H2,(H,11,12)
InChIKeyHTHZIUCJTUQEIC-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.49
Rot. Bonds3

About 1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione

1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione (PubChem CID 118889077) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione
PubChem CID118889077
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCc1cn[nH]c1
InChIInChI=1S/C10H13N3O2/c14-9-2-1-3-10(15)13(9)5-4-8-6-11-12-7-8/h6-7H,1-5H2,(H,11,12)
InChIKeyHTHZIUCJTUQEIC-UHFFFAOYSA-N
XLogP0.49
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-pyrazol-4-yl)piperidine-2,6-dione
CID 166739211
1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 24790680
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-4-piperidinecarboxamide
CID 72851681
N-[2-Methyl-2-(4-methylpiperazin-1-YL)propyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206842
4,4-difluoro-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine
CID 74244963
1-[3-(1H-pyrazol-4-yl)propanoyl]-4-(trifluoromethyl)piperidine
CID 131904704
1'-(cyclopropylcarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,4'-bipiperidine-3-carboxamide
CID 56870223
1-piperidin-1-yl-3-(1H-pyrazol-4-yl)propane-1,3-dione
CID 88089826
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione (CID 118889077) is 1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCc1cn[nH]c1.
What is the InChIKey of 1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione?
The InChIKey is HTHZIUCJTUQEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-9-2-1-3-10(15)13(9)5-4-8-6-11-12-7-8/h6-7H,1-5H2,(H,11,12).
What are the key properties of 1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione?
1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione has a molecular weight of 207.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 118889077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).