2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine

C16H23N5O2S — CID 110102240

IUPAC2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1cncc(C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C16H23N5O2S/c1-11-16(12(2)20(3)19-11)15-10-17-9-14(18-15)13-5-7-21(8-6-13)24(4,22)23/h9-10,13H,5-8H2,1-4H3
InChIKeyMRTDRLXJDQYVNM-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.63
Rot. Bonds3

About 2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine

2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine (PubChem CID 110102240) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine
PubChem CID110102240
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1cncc(C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C16H23N5O2S/c1-11-16(12(2)20(3)19-11)15-10-17-9-14(18-15)13-5-7-21(8-6-13)24(4,22)23/h9-10,13H,5-8H2,1-4H3
InChIKeyMRTDRLXJDQYVNM-UHFFFAOYSA-N
XLogP1.63
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine (CID 110102240) is 2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine is Cc1nn(C)c(C)c1-c1cncc(C2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The InChIKey is MRTDRLXJDQYVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11-16(12(2)20(3)19-11)15-10-17-9-14(18-15)13-5-7-21(8-6-13)24(4,22)23/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine has a molecular weight of 349.46 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 110102240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).