2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine

C16H22N4O2S — CID 110102090

IUPAC2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
SMILESCn1nccc1-c1ccc(CC2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C16H22N4O2S/c1-19-16(5-8-18-19)15-4-3-14(12-17-15)11-13-6-9-20(10-7-13)23(2,21)22/h3-5,8,12-13H,6-7,9-11H2,1-2H3
InChIKeyPQNTUANHGWDMNK-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.70
Rot. Bonds4

About 2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine

2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine (PubChem CID 110102090) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
PubChem CID110102090
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
SMILESCn1nccc1-c1ccc(CC2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C16H22N4O2S/c1-19-16(5-8-18-19)15-4-3-14(12-17-15)11-13-6-9-20(10-7-13)23(2,21)22/h3-5,8,12-13H,6-7,9-11H2,1-2H3
InChIKeyPQNTUANHGWDMNK-UHFFFAOYSA-N
XLogP1.70
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine (CID 110102090) is 2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine is Cn1nccc1-c1ccc(CC2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine?
The InChIKey is PQNTUANHGWDMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-19-16(5-8-18-19)15-4-3-14(12-17-15)11-13-6-9-20(10-7-13)23(2,21)22/h3-5,8,12-13H,6-7,9-11H2,1-2H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine?
2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine has a molecular weight of 334.45 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine is sourced from PubChem (CID 110102090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).