2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine

C12H14BrN5 — CID 126901418

IUPAC2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine
SMILESCc1cnc(CN2CC(n3cc(Br)cn3)C2)cn1
InChIInChI=1S/C12H14BrN5/c1-9-2-15-11(4-14-9)6-17-7-12(8-17)18-5-10(13)3-16-18/h2-5,12H,6-8H2,1H3
InChIKeyHUARDZFMLGQBOC-UHFFFAOYSA-N
MW308.18 g/mol
LogP1.80
Rot. Bonds3

About 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine

2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine (PubChem CID 126901418) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine
PubChem CID126901418
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC Name2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine
SMILESCc1cnc(CN2CC(n3cc(Br)cn3)C2)cn1
InChIInChI=1S/C12H14BrN5/c1-9-2-15-11(4-14-9)6-17-7-12(8-17)18-5-10(13)3-16-18/h2-5,12H,6-8H2,1H3
InChIKeyHUARDZFMLGQBOC-UHFFFAOYSA-N
XLogP1.80
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 126901329
1-methyl-3-[1-[1-[(5-methylpyrazin-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946140
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126901439
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126945129
5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole
CID 126901484
1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
CID 126901314
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 126901479
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 126946968
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126901538
4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
CID 126901486
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole
CID 126901437
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine
CID 126946963

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine?
The IUPAC name of 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine (CID 126901418) is 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine?
The canonical SMILES for 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine is Cc1cnc(CN2CC(n3cc(Br)cn3)C2)cn1.
What is the InChIKey of 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine?
The InChIKey is HUARDZFMLGQBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-9-2-15-11(4-14-9)6-17-7-12(8-17)18-5-10(13)3-16-18/h2-5,12H,6-8H2,1H3.
What are the key properties of 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine?
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine has a molecular weight of 308.18 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine is sourced from PubChem (CID 126901418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).