2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine

C14H19N5O2S — CID 175652292

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
SMILESCc1cc(-c2cncc(C3CCN(S(C)(=O)=O)CC3)n2)n[nH]1
InChIInChI=1S/C14H19N5O2S/c1-10-7-12(18-17-10)14-9-15-8-13(16-14)11-3-5-19(6-4-11)22(2,20)21/h7-9,11H,3-6H2,1-2H3,(H,17,18)
InChIKeyOVEOJVKIKMCBNQ-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.31
Rot. Bonds3

About 2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine

2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine (PubChem CID 175652292) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
PubChem CID175652292
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
SMILESCc1cc(-c2cncc(C3CCN(S(C)(=O)=O)CC3)n2)n[nH]1
InChIInChI=1S/C14H19N5O2S/c1-10-7-12(18-17-10)14-9-15-8-13(16-14)11-3-5-19(6-4-11)22(2,20)21/h7-9,11H,3-6H2,1-2H3,(H,17,18)
InChIKeyOVEOJVKIKMCBNQ-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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Related Compounds

2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
CID 110102242
2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole
CID 110131569
(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124959917
2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
CID 110102093
3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110098932
4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 124944043
N,N-dimethyl-4-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 95845148
2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 125001106
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine
CID 125001125
4-(5-methyl-1H-pyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101299
N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide
CID 168878475
[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 74232997

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine (CID 175652292) is 2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine is Cc1cc(-c2cncc(C3CCN(S(C)(=O)=O)CC3)n2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine?
The InChIKey is OVEOJVKIKMCBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-10-7-12(18-17-10)14-9-15-8-13(16-14)11-3-5-19(6-4-11)22(2,20)21/h7-9,11H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine?
2-(5-methyl-1H-pyrazol-3-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-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine is sourced from PubChem (CID 175652292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).