2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one

C9H12BrN3O — CID 83844255

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one
SMILESCc1nn(C)c(C2NCCC2=O)c1Br
InChIInChI=1S/C9H12BrN3O/c1-5-7(10)9(13(2)12-5)8-6(14)3-4-11-8/h8,11H,3-4H2,1-2H3
InChIKeyHPRYXMJMLAKDAJ-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.09
Rot. Bonds1

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one

2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one (PubChem CID 83844255) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one
PubChem CID83844255
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one
SMILESCc1nn(C)c(C2NCCC2=O)c1Br
InChIInChI=1S/C9H12BrN3O/c1-5-7(10)9(13(2)12-5)8-6(14)3-4-11-8/h8,11H,3-4H2,1-2H3
InChIKeyHPRYXMJMLAKDAJ-UHFFFAOYSA-N
XLogP1.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one (CID 83844255) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one is Cc1nn(C)c(C2NCCC2=O)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one?
The InChIKey is HPRYXMJMLAKDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-5-7(10)9(13(2)12-5)8-6(14)3-4-11-8/h8,11H,3-4H2,1-2H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one has a molecular weight of 258.12 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one is sourced from PubChem (CID 83844255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).