2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine

C18H24BFN4O2 — CID 171111482

About 2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine

2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine (PubChem CID 171111482) has the molecular formula C18H24BFN4O2 and a molecular weight of 358.23 g/mol. Its IUPAC name is 2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine.

Molecular Properties

• Compound Name: 2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine
• PubChem CID: 171111482
• Molecular Formula: C18H24BFN4O2
• Molecular Weight: 358.23 g/mol
• Exact Mass: 358.20
• IUPAC Name: 2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine
• SMILES: CC(C)n1nc(-c2cnccn2)cc1C=C(F)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C18H24BFN4O2/c1-12(2)24-13(9-14(23-24)15-11-21-7-8-22-15)10-16(20)19-25-17(3,4)18(5,6)26-19/h7-12H,1-6H3
• InChIKey: FEYMJQMAXYONTD-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 62.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.23
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine?

The IUPAC name of 2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine (CID 171111482) is 2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine.

What is the SMILES notation for 2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine?

The canonical SMILES for 2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine is CC(C)n1nc(-c2cnccn2)cc1C=C(F)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine?

The InChIKey is FEYMJQMAXYONTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BFN4O2/c1-12(2)24-13(9-14(23-24)15-11-21-7-8-22-15)10-16(20)19-25-17(3,4)18(5,6)26-19/h7-12H,1-6H3.

What are the key properties of 2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine?

2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine has a molecular weight of 358.23 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-propan-2-ylpyrazol-3-yl]pyrazine is sourced from PubChem (CID 171111482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).