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

C16H23N5O2S — CID 110102339

IUPAC2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine
SMILESCCCn1cc(-c2cnc(C3CCCN(S(C)(=O)=O)C3)cn2)cn1
InChIInChI=1S/C16H23N5O2S/c1-3-6-20-11-14(8-19-20)16-10-17-15(9-18-16)13-5-4-7-21(12-13)24(2,22)23/h8-11,13H,3-7,12H2,1-2H3
InChIKeyNSYZMOBMRYRIQS-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.89
Rot. Bonds5

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

2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine (PubChem CID 110102339) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine
PubChem CID110102339
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine
SMILESCCCn1cc(-c2cnc(C3CCCN(S(C)(=O)=O)C3)cn2)cn1
InChIInChI=1S/C16H23N5O2S/c1-3-6-20-11-14(8-19-20)16-10-17-15(9-18-16)13-5-4-7-21(12-13)24(2,22)23/h8-11,13H,3-7,12H2,1-2H3
InChIKeyNSYZMOBMRYRIQS-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)-5-(1-propylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine (CID 110102339) is 2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine is CCCn1cc(-c2cnc(C3CCCN(S(C)(=O)=O)C3)cn2)cn1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine?
The InChIKey is NSYZMOBMRYRIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-6-20-11-14(8-19-20)16-10-17-15(9-18-16)13-5-4-7-21(12-13)24(2,22)23/h8-11,13H,3-7,12H2,1-2H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine?
2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-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)-5-(1-propylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 110102339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).