4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one

C11H15BrN4O — CID 126901528

IUPAC4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC(CN2CC(n3cc(Br)cn3)C2)CN1
InChIInChI=1S/C11H15BrN4O/c12-9-3-14-16(5-9)10-6-15(7-10)4-8-1-11(17)13-2-8/h3,5,8,10H,1-2,4,6-7H2,(H,13,17)
InChIKeyAKOGDLVGPYZGRQ-UHFFFAOYSA-N
MW299.17 g/mol
LogP0.64
Rot. Bonds3

About 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one

4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 126901528) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one
PubChem CID126901528
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC(CN2CC(n3cc(Br)cn3)C2)CN1
InChIInChI=1S/C11H15BrN4O/c12-9-3-14-16(5-9)10-6-15(7-10)4-8-1-11(17)13-2-8/h3,5,8,10H,1-2,4,6-7H2,(H,13,17)
InChIKeyAKOGDLVGPYZGRQ-UHFFFAOYSA-N
XLogP0.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126901516
7-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-1-methylazepan-2-one
CID 126901389
1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
CID 126901314
4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one
CID 126892702
4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine
CID 119931610
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126901538
[4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine
CID 82380397
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 130871238
3-(4-bromopyrazol-1-yl)piperidine-2,6-dione
CID 135273234
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine
CID 126901418
1-[2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepan-2-one
CID 126947041
5-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 126901329

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one (CID 126901528) is 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one is O=C1CC(CN2CC(n3cc(Br)cn3)C2)CN1.
What is the InChIKey of 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is AKOGDLVGPYZGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c12-9-3-14-16(5-9)10-6-15(7-10)4-8-1-11(17)13-2-8/h3,5,8,10H,1-2,4,6-7H2,(H,13,17).
What are the key properties of 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one?
4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 299.17 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 126901528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).