6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one

C12H17BrN4O2 — CID 126901516

IUPAC6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one
SMILESCN1CC(CN2CC(n3cc(Br)cn3)C2)OCC1=O
InChIInChI=1S/C12H17BrN4O2/c1-15-6-11(19-8-12(15)18)7-16-4-10(5-16)17-3-9(13)2-14-17/h2-3,10-11H,4-8H2,1H3
InChIKeyJUCKMNDFXNTQKF-UHFFFAOYSA-N
MW329.20 g/mol
LogP0.36
Rot. Bonds3

About 6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one

6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one (PubChem CID 126901516) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one.

Molecular Properties

Compound Name6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one
PubChem CID126901516
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one
SMILESCN1CC(CN2CC(n3cc(Br)cn3)C2)OCC1=O
InChIInChI=1S/C12H17BrN4O2/c1-15-6-11(19-8-12(15)18)7-16-4-10(5-16)17-3-9(13)2-14-17/h2-3,10-11H,4-8H2,1H3
InChIKeyJUCKMNDFXNTQKF-UHFFFAOYSA-N
XLogP0.36
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one
CID 126946213
7-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-1-methylazepan-2-one
CID 126901389
4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one
CID 126901528
1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
CID 126901314
1-[2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepan-2-one
CID 126947041
6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride
CID 75531174
5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole
CID 126901484
5-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 126901329
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126901439
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine
CID 126901418
3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 126947130

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one?
The IUPAC name of 6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one (CID 126901516) is 6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one.
What is the SMILES notation for 6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one?
The canonical SMILES for 6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one is CN1CC(CN2CC(n3cc(Br)cn3)C2)OCC1=O.
What is the InChIKey of 6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one?
The InChIKey is JUCKMNDFXNTQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c1-15-6-11(19-8-12(15)18)7-16-4-10(5-16)17-3-9(13)2-14-17/h2-3,10-11H,4-8H2,1H3.
What are the key properties of 6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one?
6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one has a molecular weight of 329.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one is sourced from PubChem (CID 126901516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).