5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane

C46H61Br2F2IN10O2Sn — CID 165079187

About 5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane

5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane (PubChem CID 165079187) has the molecular formula C46H61Br2F2IN10O2Sn and a molecular weight of 1229.48 g/mol. Its IUPAC name is 5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane.

Molecular Properties

• Compound Name: 5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane
• PubChem CID: 165079187
• Molecular Formula: C46H61Br2F2IN10O2Sn
• Molecular Weight: 1229.48 g/mol
• Exact Mass: 1228.14
• IUPAC Name: 5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane
• SMILES: C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CCn1ncc(Cc2cnnn2-c2ccc(F)cc2C(C)=O)c1Br.CCn1ncc(Cc2cnnn2-c2ccc(F)cc2I)c1Br
• InChI: InChI=1S/C16H15BrFN5O.C14H12BrFIN5.C4H7O.3C4H9.Sn/c1-3-22-16(17)11(8-20-22)6-13-9-19-21-23(13)15-5-4-12(18)7-14(15)10(2)24;1-2-21-14(15)9(7-19-21)5-11-8-18-20-22(11)13-4-3-10(16)6-12(13)17;1-3-5-4-2;3*1-3-4-2;/h4-5,7-9H,3,6H2,1-2H3;3-4,6-8H,2,5H2,1H3;1,4H2,2H3;3*1,3-4H2,2H3
• InChIKey: UVKBXQZGELUVKE-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 123.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1229.48
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane?

The IUPAC name of 5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane (CID 165079187) is 5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane.

What is the SMILES notation for 5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane?

The canonical SMILES for 5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane is C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CCn1ncc(Cc2cnnn2-c2ccc(F)cc2C(C)=O)c1Br.CCn1ncc(Cc2cnnn2-c2ccc(F)cc2I)c1Br.

What is the InChIKey of 5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane?

The InChIKey is UVKBXQZGELUVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN5O.C14H12BrFIN5.C4H7O.3C4H9.Sn/c1-3-22-16(17)11(8-20-22)6-13-9-19-21-23(13)15-5-4-12(18)7-14(15)10(2)24;1-2-21-14(15)9(7-19-21)5-11-8-18-20-22(11)13-4-3-10(16)6-12(13)17;1-3-5-4-2;3*1-3-4-2;/h4-5,7-9H,3,6H2,1-2H3;3-4,6-8H,2,5H2,1H3;1,4H2,2H3;3*1,3-4H2,2H3;.

What are the key properties of 5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane?

5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane has a molecular weight of 1229.48 g/mol, XLogP of 12.68, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)triazole;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane is sourced from PubChem (CID 165079187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).