2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone

C13H21N3O2 — CID 71943780

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)Cn2nc(C)cc2C)CC1
InChIInChI=1S/C13H21N3O2/c1-10-8-11(2)16(14-10)9-13(17)15-6-4-12(18-3)5-7-15/h8,12H,4-7,9H2,1-3H3
InChIKeyWSMQPLKACJEGSP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.14
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 71943780) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
PubChem CID71943780
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)Cn2nc(C)cc2C)CC1
InChIInChI=1S/C13H21N3O2/c1-10-8-11(2)16(14-10)9-13(17)15-6-4-12(18-3)5-7-15/h8,12H,4-7,9H2,1-3H3
InChIKeyWSMQPLKACJEGSP-UHFFFAOYSA-N
XLogP1.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone (CID 71943780) is 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone is COC1CCN(C(=O)Cn2nc(C)cc2C)CC1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is WSMQPLKACJEGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-8-11(2)16(14-10)9-13(17)15-6-4-12(18-3)5-7-15/h8,12H,4-7,9H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 71943780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).