1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone

C17H22N4O — CID 71926746

IUPAC1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC(c3cc(C)[nH]n3)C2)cn1
InChIInChI=1S/C17H22N4O/c1-12-5-6-14(10-18-12)9-17(22)21-7-3-4-15(11-21)16-8-13(2)19-20-16/h5-6,8,10,15H,3-4,7,9,11H2,1-2H3,(H,19,20)
InChIKeyVBUKZFNXPLKXLR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.37
Rot. Bonds3

About 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone

1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone (PubChem CID 71926746) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
PubChem CID71926746
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC(c3cc(C)[nH]n3)C2)cn1
InChIInChI=1S/C17H22N4O/c1-12-5-6-14(10-18-12)9-17(22)21-7-3-4-15(11-21)16-8-13(2)19-20-16/h5-6,8,10,15H,3-4,7,9,11H2,1-2H3,(H,19,20)
InChIKeyVBUKZFNXPLKXLR-UHFFFAOYSA-N
XLogP2.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone (CID 71926746) is 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone is Cc1ccc(CC(=O)N2CCCC(c3cc(C)[nH]n3)C2)cn1.
What is the InChIKey of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is VBUKZFNXPLKXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-5-6-14(10-18-12)9-17(22)21-7-3-4-15(11-21)16-8-13(2)19-20-16/h5-6,8,10,15H,3-4,7,9,11H2,1-2H3,(H,19,20).
What are the key properties of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 298.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 71926746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).