3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one

C10H14BrN3O — CID 107464837

IUPAC3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCCc1nn(C)cc1N1CCC(Br)C1=O
InChIInChI=1S/C10H14BrN3O/c1-3-8-9(6-13(2)12-8)14-5-4-7(11)10(14)15/h6-7H,3-5H2,1-2H3
InChIKeyZUPADVBXFXLFKB-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.48
Rot. Bonds2

About 3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one

3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 107464837) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID107464837
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCCc1nn(C)cc1N1CCC(Br)C1=O
InChIInChI=1S/C10H14BrN3O/c1-3-8-9(6-13(2)12-8)14-5-4-7(11)10(14)15/h6-7H,3-5H2,1-2H3
InChIKeyZUPADVBXFXLFKB-UHFFFAOYSA-N
XLogP1.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
CID 107465007
1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one
CID 107463326
1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-amine
CID 107463343
[1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 107464849
6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 107464990
(3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one
CID 97307820
1-(3-ethyl-1-methylpyrazol-4-yl)-1,5-diazocane
CID 107464575
3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 107464996
1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylpiperidin-4-amine
CID 107463346
1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 102805640
(3R)-3-bromo-1-pyrimidin-2-ylpyrrolidin-2-one
CID 95212398
3-bromo-1-(3-bromo-2-methylphenyl)pyrrolidin-2-one
CID 107639727

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 107464837) is 3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one is CCc1nn(C)cc1N1CCC(Br)C1=O.
What is the InChIKey of 3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is ZUPADVBXFXLFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-3-8-9(6-13(2)12-8)14-5-4-7(11)10(14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one?
3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 272.15 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 107464837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).