2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine

C17H25N5O2S — CID 110102389

IUPAC2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1cnc(CC2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C17H25N5O2S/c1-12-17(13(2)21(3)20-12)16-10-18-15(9-19-16)8-14-6-5-7-22(11-14)25(4,23)24/h9-10,14H,5-8,11H2,1-4H3
InChIKeyZXENEURUTOQDOB-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.71
Rot. Bonds4

About 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine

2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine (PubChem CID 110102389) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
PubChem CID110102389
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1cnc(CC2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C17H25N5O2S/c1-12-17(13(2)21(3)20-12)16-10-18-15(9-19-16)8-14-6-5-7-22(11-14)25(4,23)24/h9-10,14H,5-8,11H2,1-4H3
InChIKeyZXENEURUTOQDOB-UHFFFAOYSA-N
XLogP1.71
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine (CID 110102389) is 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine is Cc1nn(C)c(C)c1-c1cnc(CC2CCCN(S(C)(=O)=O)C2)cn1.
What is the InChIKey of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The InChIKey is ZXENEURUTOQDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-12-17(13(2)21(3)20-12)16-10-18-15(9-19-16)8-14-6-5-7-22(11-14)25(4,23)24/h9-10,14H,5-8,11H2,1-4H3.
What are the key properties of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine has a molecular weight of 363.49 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 110102389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).