3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione

C10H13N3O2 — CID 176988107

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione
SMILESCc1[nH]nc(C2CCC(=O)NC2=O)c1C
InChIInChI=1S/C10H13N3O2/c1-5-6(2)12-13-9(5)7-3-4-8(14)11-10(7)15/h7H,3-4H2,1-2H3,(H,12,13)(H,11,14,15)
InChIKeyRLJFVIBUXSLAHF-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.55
Rot. Bonds1

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione

3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione (PubChem CID 176988107) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione
PubChem CID176988107
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione
SMILESCc1[nH]nc(C2CCC(=O)NC2=O)c1C
InChIInChI=1S/C10H13N3O2/c1-5-6(2)12-13-9(5)7-3-4-8(14)11-10(7)15/h7H,3-4H2,1-2H3,(H,12,13)(H,11,14,15)
InChIKeyRLJFVIBUXSLAHF-UHFFFAOYSA-N
XLogP0.55
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione
CID 171565294
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(5-methyl-3-pyridinyl)piperidine-2,6-dione
CID 167474889
3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione
CID 178017694
(3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione
CID 172616956
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-(6-tert-butyl-2-methyl-3-pyridinyl)piperidine-2,6-dione
CID 170144934
3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
CID 164736995
3-(5-aminopyrimidin-2-yl)piperidine-2,6-dione
CID 177240318
3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
CID 162510232
3-methylsulfonylpiperidine-2,6-dione
CID 155635001
3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
CID 171127244

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione (CID 176988107) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione is Cc1[nH]nc(C2CCC(=O)NC2=O)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione?
The InChIKey is RLJFVIBUXSLAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-5-6(2)12-13-9(5)7-3-4-8(14)11-10(7)15/h7H,3-4H2,1-2H3,(H,12,13)(H,11,14,15).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione?
3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione has a molecular weight of 207.23 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 176988107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).