2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine

C15H20N4O2S — CID 118740183

IUPAC2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine
SMILESCn1nccc1-c1cc(C2CCN(S(C)(=O)=O)CC2)ccn1
InChIInChI=1S/C15H20N4O2S/c1-18-15(4-8-17-18)14-11-13(3-7-16-14)12-5-9-19(10-6-12)22(2,20)21/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3
InChIKeyDJUZIXSVNPLOEH-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.62
Rot. Bonds3

About 2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine

2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine (PubChem CID 118740183) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine
PubChem CID118740183
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine
SMILESCn1nccc1-c1cc(C2CCN(S(C)(=O)=O)CC2)ccn1
InChIInChI=1S/C15H20N4O2S/c1-18-15(4-8-17-18)14-11-13(3-7-16-14)12-5-9-19(10-6-12)22(2,20)21/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3
InChIKeyDJUZIXSVNPLOEH-UHFFFAOYSA-N
XLogP1.62
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.62
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)-4-(1-methylsulfonylpiperidin-4-yl)pyridine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine (CID 118740183) is 2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine is Cn1nccc1-c1cc(C2CCN(S(C)(=O)=O)CC2)ccn1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine?
The InChIKey is DJUZIXSVNPLOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-18-15(4-8-17-18)14-11-13(3-7-16-14)12-5-9-19(10-6-12)22(2,20)21/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine?
2-(2-methylpyrazol-3-yl)-4-(1-methylsulfonylpiperidin-4-yl)pyridine has a molecular weight of 320.42 g/mol, XLogP of 1.62, 3 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)-4-(1-methylsulfonylpiperidin-4-yl)pyridine is sourced from PubChem (CID 118740183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).