[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

C13H14BrN3O2 — CID 126901167

IUPAC[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(n3cc(Br)cn3)C2)c(C)o1
InChIInChI=1S/C13H14BrN3O2/c1-8-3-12(9(2)19-8)13(18)16-6-11(7-16)17-5-10(14)4-15-17/h3-5,11H,6-7H2,1-2H3
InChIKeyRYUPFYWZLPSXJI-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.55
Rot. Bonds2

About [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 126901167) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID126901167
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(n3cc(Br)cn3)C2)c(C)o1
InChIInChI=1S/C13H14BrN3O2/c1-8-3-12(9(2)19-8)13(18)16-6-11(7-16)17-5-10(14)4-15-17/h3-5,11H,6-7H2,1-2H3
InChIKeyRYUPFYWZLPSXJI-UHFFFAOYSA-N
XLogP2.55
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948156
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 126901183
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
CID 126901258
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-quinolin-2-ylmethanone
CID 126901159
3-(4-bromopyrazol-1-yl)-N-(oxan-4-yl)azetidine-1-carboxamide
CID 126901204
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 71783568
[2-(bromomethyl)morpholin-4-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 81209568
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 72936361
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 66201170
1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 78086001

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 126901167) is [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CC(n3cc(Br)cn3)C2)c(C)o1.
What is the InChIKey of [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is RYUPFYWZLPSXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-8-3-12(9(2)19-8)13(18)16-6-11(7-16)17-5-10(14)4-15-17/h3-5,11H,6-7H2,1-2H3.
What are the key properties of [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 324.18 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 126901167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).