2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine

C14H19N5O2S — CID 110101757

IUPAC2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine
SMILESCn1nccc1-c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C14H19N5O2S/c1-18-14(3-6-17-18)13-10-15-12(9-16-13)11-4-7-19(8-5-11)22(2,20)21/h3,6,9-11H,4-5,7-8H2,1-2H3
InChIKeyKITXNKIQZVPRNF-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.02
Rot. Bonds3

About 2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine

2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine (PubChem CID 110101757) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine
PubChem CID110101757
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine
SMILESCn1nccc1-c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C14H19N5O2S/c1-18-14(3-6-17-18)13-10-15-12(9-16-13)11-4-7-19(8-5-11)22(2,20)21/h3,6,9-11H,4-5,7-8H2,1-2H3
InChIKeyKITXNKIQZVPRNF-UHFFFAOYSA-N
XLogP1.02
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine (CID 110101757) is 2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine is Cn1nccc1-c1cnc(C2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine?
The InChIKey is KITXNKIQZVPRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-18-14(3-6-17-18)13-10-15-12(9-16-13)11-4-7-19(8-5-11)22(2,20)21/h3,6,9-11H,4-5,7-8H2,1-2H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine?
2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine has a molecular weight of 321.41 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine is sourced from PubChem (CID 110101757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).