1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone

C11H16BrN3O — CID 114668710

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone
SMILESCn1ncc(Br)c1C(=O)CC1CCNCC1
InChIInChI=1S/C11H16BrN3O/c1-15-11(9(12)7-14-15)10(16)6-8-2-4-13-5-3-8/h7-8,13H,2-6H2,1H3
InChIKeyLTKJWCUQUWSRFE-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.75
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone

1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone (PubChem CID 114668710) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone
PubChem CID114668710
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone
SMILESCn1ncc(Br)c1C(=O)CC1CCNCC1
InChIInChI=1S/C11H16BrN3O/c1-15-11(9(12)7-14-15)10(16)6-8-2-4-13-5-3-8/h7-8,13H,2-6H2,1H3
InChIKeyLTKJWCUQUWSRFE-UHFFFAOYSA-N
XLogP1.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone
CID 106464093
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone
CID 114669849
1-(4-bromo-1-methylpyrazol-5-yl)-3,3-dimethylbutan-1-one
CID 114640173
1-(4-bromo-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 114639107
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cycloheptylethanone
CID 115805876
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114670083
1-(5-bromo-1-methylpyrazol-4-yl)-2-cyclobutylethanone
CID 130877669
(4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 114670272
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114639523
1-(4-bromo-1-methylpyrazol-5-yl)decan-1-one
CID 115814816
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone
CID 114669257
1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114638939

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone (CID 114668710) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone is Cn1ncc(Br)c1C(=O)CC1CCNCC1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone?
The InChIKey is LTKJWCUQUWSRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-15-11(9(12)7-14-15)10(16)6-8-2-4-13-5-3-8/h7-8,13H,2-6H2,1H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone?
1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone has a molecular weight of 286.17 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 114668710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).