2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine

C14H19N5O2S — CID 110102242

IUPAC2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
SMILESCc1[nH]ncc1-c1cncc(C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H19N5O2S/c1-10-12(7-16-18-10)14-9-15-8-13(17-14)11-3-5-19(6-4-11)22(2,20)21/h7-9,11H,3-6H2,1-2H3,(H,16,18)
InChIKeyTUDYDSPODUSHHS-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.31
Rot. Bonds3

About 2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine

2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine (PubChem CID 110102242) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
PubChem CID110102242
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
SMILESCc1[nH]ncc1-c1cncc(C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H19N5O2S/c1-10-12(7-16-18-10)14-9-15-8-13(17-14)11-3-5-19(6-4-11)22(2,20)21/h7-9,11H,3-6H2,1-2H3,(H,16,18)
InChIKeyTUDYDSPODUSHHS-UHFFFAOYSA-N
XLogP1.31
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine (CID 110102242) is 2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine is Cc1[nH]ncc1-c1cncc(C2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine?
The InChIKey is TUDYDSPODUSHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-10-12(7-16-18-10)14-9-15-8-13(17-14)11-3-5-19(6-4-11)22(2,20)21/h7-9,11H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine?
2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine has a molecular weight of 321.41 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine is sourced from PubChem (CID 110102242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).