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

C19H26BFN4O2 — CID 171111688

IUPAC2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine
SMILESCC(C)Cn1cc(C=C(F)B2OC(C)(C)C(C)(C)O2)c(-c2cnccn2)n1
InChIInChI=1S/C19H26BFN4O2/c1-13(2)11-25-12-14(17(24-25)15-10-22-7-8-23-15)9-16(21)20-26-18(3,4)19(5,6)27-20/h7-10,12-13H,11H2,1-6H3
InChIKeyRVMGUONHDFQCMS-UHFFFAOYSA-N
MW372.25 g/mol
LogP3.94
Rot. Bonds5

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

2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine (PubChem CID 171111688) has the molecular formula C19H26BFN4O2 and a molecular weight of 372.25 g/mol. Its IUPAC name is 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine
PubChem CID171111688
Molecular FormulaC19H26BFN4O2
Molecular Weight372.25 g/mol
Exact Mass372.21
IUPAC Name2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine
SMILESCC(C)Cn1cc(C=C(F)B2OC(C)(C)C(C)(C)O2)c(-c2cnccn2)n1
InChIInChI=1S/C19H26BFN4O2/c1-13(2)11-25-12-14(17(24-25)15-10-22-7-8-23-15)9-16(21)20-26-18(3,4)19(5,6)27-20/h7-10,12-13H,11H2,1-6H3
InChIKeyRVMGUONHDFQCMS-UHFFFAOYSA-N
XLogP3.94
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine?
The IUPAC name of 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine (CID 171111688) is 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine.
What is the SMILES notation for 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine?
The canonical SMILES for 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine is CC(C)Cn1cc(C=C(F)B2OC(C)(C)C(C)(C)O2)c(-c2cnccn2)n1.
What is the InChIKey of 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine?
The InChIKey is RVMGUONHDFQCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BFN4O2/c1-13(2)11-25-12-14(17(24-25)15-10-22-7-8-23-15)9-16(21)20-26-18(3,4)19(5,6)27-20/h7-10,12-13H,11H2,1-6H3.
What are the key properties of 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine?
2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine has a molecular weight of 372.25 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(2-methylpropyl)pyrazol-3-yl]pyrazine is sourced from PubChem (CID 171111688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).