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

C17H24N4O2S — CID 118740182

IUPAC4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1cc(C2CCN(S(C)(=O)=O)CC2)ccn1
InChIInChI=1S/C17H24N4O2S/c1-3-10-21-17(5-9-19-21)16-13-15(4-8-18-16)14-6-11-20(12-7-14)24(2,22)23/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3
InChIKeyMWOZOLVMIGLABT-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.49
Rot. Bonds5

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

4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine (PubChem CID 118740182) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine
PubChem CID118740182
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1cc(C2CCN(S(C)(=O)=O)CC2)ccn1
InChIInChI=1S/C17H24N4O2S/c1-3-10-21-17(5-9-19-21)16-13-15(4-8-18-16)14-6-11-20(12-7-14)24(2,22)23/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3
InChIKeyMWOZOLVMIGLABT-UHFFFAOYSA-N
XLogP2.49
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine?
The IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine (CID 118740182) is 4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine.
What is the SMILES notation for 4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine?
The canonical SMILES for 4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine is CCCn1nccc1-c1cc(C2CCN(S(C)(=O)=O)CC2)ccn1.
What is the InChIKey of 4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine?
The InChIKey is MWOZOLVMIGLABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-10-21-17(5-9-19-21)16-13-15(4-8-18-16)14-6-11-20(12-7-14)24(2,22)23/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3.
What are the key properties of 4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine?
4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine has a molecular weight of 348.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylpiperidin-4-yl)-2-(2-propylpyrazol-3-yl)pyridine is sourced from PubChem (CID 118740182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).