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

C8H8BrN3O2 — CID 135273234

IUPAC3-(4-bromopyrazol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cc(Br)cn2)C(=O)N1
InChIInChI=1S/C8H8BrN3O2/c9-5-3-10-12(4-5)6-1-2-7(13)11-8(6)14/h3-4,6H,1-2H2,(H,11,13,14)
InChIKeyCFUCLJIOSMCTCA-UHFFFAOYSA-N
MW258.07 g/mol
LogP0.62
Rot. Bonds1

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

3-(4-bromopyrazol-1-yl)piperidine-2,6-dione (PubChem CID 135273234) has the molecular formula C8H8BrN3O2 and a molecular weight of 258.07 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)piperidine-2,6-dione
PubChem CID135273234
Molecular FormulaC8H8BrN3O2
Molecular Weight258.07 g/mol
Exact Mass256.98
IUPAC Name3-(4-bromopyrazol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cc(Br)cn2)C(=O)N1
InChIInChI=1S/C8H8BrN3O2/c9-5-3-10-12(4-5)6-1-2-7(13)11-8(6)14/h3-4,6H,1-2H2,(H,11,13,14)
InChIKeyCFUCLJIOSMCTCA-UHFFFAOYSA-N
XLogP0.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-bromopyrazol-1-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

3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione
CID 135273233
3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione
CID 175460530
3-indazol-2-ylpiperidine-2,6-dione
CID 138467082
3-(5-bromoisoindol-2-yl)piperidine-2,6-dione
CID 91547260
3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]pyrazol-1-yl]piperidine-2,6-dione
CID 167463550
4-bromo-2-methylthiophene;3-[4-(5-methylthiophen-3-yl)triazol-1-yl]piperidine-2,6-dione
CID 175493443
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
(5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one
CID 138553889
4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one
CID 126901528
3-(4-bromo-1-oxoisoquinolin-2-yl)piperidine-2,6-dione
CID 175556384
3-indazol-1-ylpiperidine-2,6-dione;hydrochloride
CID 155251099
3-(3-bromo-4-methyl-5-oxo-1,2,4-triazol-1-yl)piperidine-2,6-dione
CID 142409714

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-bromopyrazol-1-yl)piperidine-2,6-dione (CID 135273234) is 3-(4-bromopyrazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)piperidine-2,6-dione is O=C1CCC(n2cc(Br)cn2)C(=O)N1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)piperidine-2,6-dione?
The InChIKey is CFUCLJIOSMCTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2/c9-5-3-10-12(4-5)6-1-2-7(13)11-8(6)14/h3-4,6H,1-2H2,(H,11,13,14).
What are the key properties of 3-(4-bromopyrazol-1-yl)piperidine-2,6-dione?
3-(4-bromopyrazol-1-yl)piperidine-2,6-dione has a molecular weight of 258.07 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 135273234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).