1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone

C11H16ClN3O — CID 116583884

IUPAC1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1nn(C)c(CC(=O)C2CNC2)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-3-8-11(12)9(15(2)14-8)4-10(16)7-5-13-6-7/h7,13H,3-6H2,1-2H3
InChIKeyKRQYBWNUJANJKL-UHFFFAOYSA-N
MW241.72 g/mol
LogP0.97
Rot. Bonds4

About 1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone

1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone (PubChem CID 116583884) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
PubChem CID116583884
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1nn(C)c(CC(=O)C2CNC2)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-3-8-11(12)9(15(2)14-8)4-10(16)7-5-13-6-7/h7,13H,3-6H2,1-2H3
InChIKeyKRQYBWNUJANJKL-UHFFFAOYSA-N
XLogP0.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminocyclopentyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
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1-(4-aminocyclopent-2-en-1-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116585044
1-(2-aminocycloheptyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116595346
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-3-ylbutan-2-one
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1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-piperidin-3-ylbutan-2-one
CID 116562409
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone
CID 103344891
3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methylpentan-2-one
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3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methylhexan-2-one
CID 116557190
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-cyclopropylbutan-2-one
CID 114980481
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-cyclopentylbutan-2-one
CID 114980531
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone (CID 116583884) is 1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone is CCc1nn(C)c(CC(=O)C2CNC2)c1Cl.
What is the InChIKey of 1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone?
The InChIKey is KRQYBWNUJANJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-3-8-11(12)9(15(2)14-8)4-10(16)7-5-13-6-7/h7,13H,3-6H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone?
1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone has a molecular weight of 241.72 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 116583884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).