2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine

C16H23N5O2S — CID 127246013

IUPAC2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine
SMILESCCCn1nccc1-c1cncc(C2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C16H23N5O2S/c1-3-8-21-16(6-7-18-21)15-11-17-10-14(19-15)13-5-4-9-20(12-13)24(2,22)23/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyKKFSNAMTNCBQIB-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.89
Rot. Bonds5

About 2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine

2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine (PubChem CID 127246013) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine
PubChem CID127246013
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine
SMILESCCCn1nccc1-c1cncc(C2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C16H23N5O2S/c1-3-8-21-16(6-7-18-21)15-11-17-10-14(19-15)13-5-4-9-20(12-13)24(2,22)23/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyKKFSNAMTNCBQIB-UHFFFAOYSA-N
XLogP1.89
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.89
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)-6-(2-propylpyrazol-3-yl)pyrazine?
The IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine (CID 127246013) is 2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine is CCCn1nccc1-c1cncc(C2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine?
The InChIKey is KKFSNAMTNCBQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-8-21-16(6-7-18-21)15-11-17-10-14(19-15)13-5-4-9-20(12-13)24(2,22)23/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine?
2-(1-methylsulfonylpiperidin-3-yl)-6-(2-propylpyrazol-3-yl)pyrazine has a molecular weight of 349.46 g/mol, XLogP of 1.89, 5 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)-6-(2-propylpyrazol-3-yl)pyrazine is sourced from PubChem (CID 127246013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).