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

C18H26N4O2S — CID 110101968

IUPAC3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1ncccc1CC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H26N4O2S/c1-3-11-22-17(6-10-20-22)18-16(5-4-9-19-18)14-15-7-12-21(13-8-15)25(2,23)24/h4-6,9-10,15H,3,7-8,11-14H2,1-2H3
InChIKeyOJYCAYJDTPLLBW-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.57
Rot. Bonds6

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

3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine (PubChem CID 110101968) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
PubChem CID110101968
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1ncccc1CC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H26N4O2S/c1-3-11-22-17(6-10-20-22)18-16(5-4-9-19-18)14-15-7-12-21(13-8-15)25(2,23)24/h4-6,9-10,15H,3,7-8,11-14H2,1-2H3
InChIKeyOJYCAYJDTPLLBW-UHFFFAOYSA-N
XLogP2.57
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine?
The IUPAC name of 3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine (CID 110101968) is 3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine.
What is the SMILES notation for 3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine?
The canonical SMILES for 3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine is CCCn1nccc1-c1ncccc1CC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine?
The InChIKey is OJYCAYJDTPLLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-3-11-22-17(6-10-20-22)18-16(5-4-9-19-18)14-15-7-12-21(13-8-15)25(2,23)24/h4-6,9-10,15H,3,7-8,11-14H2,1-2H3.
What are the key properties of 3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine?
3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine has a molecular weight of 362.50 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine is sourced from PubChem (CID 110101968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).