3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine

C16H22N4O2S — CID 71781247

IUPAC3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine
SMILESCc1cc(C)n(CC2CCN(S(=O)(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C16H22N4O2S/c1-13-10-14(2)20(18-13)12-15-5-8-19(9-6-15)23(21,22)16-4-3-7-17-11-16/h3-4,7,10-11,15H,5-6,8-9,12H2,1-2H3
InChIKeyXZNIQXHRVRAMAZ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.00
Rot. Bonds4

About 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine

3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine (PubChem CID 71781247) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine
PubChem CID71781247
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine
SMILESCc1cc(C)n(CC2CCN(S(=O)(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C16H22N4O2S/c1-13-10-14(2)20(18-13)12-15-5-8-19(9-6-15)23(21,22)16-4-3-7-17-11-16/h3-4,7,10-11,15H,5-6,8-9,12H2,1-2H3
InChIKeyXZNIQXHRVRAMAZ-UHFFFAOYSA-N
XLogP2.00
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine (CID 71781247) is 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine is Cc1cc(C)n(CC2CCN(S(=O)(=O)c3cccnc3)CC2)n1.
What is the InChIKey of 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine?
The InChIKey is XZNIQXHRVRAMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-13-10-14(2)20(18-13)12-15-5-8-19(9-6-15)23(21,22)16-4-3-7-17-11-16/h3-4,7,10-11,15H,5-6,8-9,12H2,1-2H3.
What are the key properties of 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine?
3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine has a molecular weight of 334.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 71781247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).