2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine

C16H23N5O2S — CID 110101440

IUPAC2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine
SMILESCCn1nccc1-c1cnc(CC2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C16H23N5O2S/c1-3-21-16(4-7-19-21)15-12-17-14(11-18-15)10-13-5-8-20(9-6-13)24(2,22)23/h4,7,11-13H,3,5-6,8-10H2,1-2H3
InChIKeyBJJBDEMVSXUCLB-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.57
Rot. Bonds5

About 2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine

2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine (PubChem CID 110101440) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine
PubChem CID110101440
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine
SMILESCCn1nccc1-c1cnc(CC2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C16H23N5O2S/c1-3-21-16(4-7-19-21)15-12-17-14(11-18-15)10-13-5-8-20(9-6-13)24(2,22)23/h4,7,11-13H,3,5-6,8-10H2,1-2H3
InChIKeyBJJBDEMVSXUCLB-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine (CID 110101440) is 2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine is CCn1nccc1-c1cnc(CC2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine?
The InChIKey is BJJBDEMVSXUCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-21-16(4-7-19-21)15-12-17-14(11-18-15)10-13-5-8-20(9-6-13)24(2,22)23/h4,7,11-13H,3,5-6,8-10H2,1-2H3.
What are the key properties of 2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine?
2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine has a molecular weight of 349.46 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazine is sourced from PubChem (CID 110101440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).