5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane

C52H65Br2F8IN8O2Sn — CID 165101791

About 5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane

5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane (PubChem CID 165101791) has the molecular formula C52H65Br2F8IN8O2Sn and a molecular weight of 1391.55 g/mol. Its IUPAC name is 5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane.

Molecular Properties

• Compound Name: 5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane
• PubChem CID: 165101791
• Molecular Formula: C52H65Br2F8IN8O2Sn
• Molecular Weight: 1391.55 g/mol
• Exact Mass: 1390.15
• IUPAC Name: 5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane
• SMILES: C=C(OCC)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1cc(F)ccc1-n1nc(C(F)(F)F)cc1Cc1cnn(CC)c1Br.CCn1ncc(Cc2cc(C(F)(F)F)nn2-c2ccc(F)cc2I)c1Br
• InChI: InChI=1S/C20H19BrF4N4O.C16H12BrF4IN4.C4H7O.3C4H9.Sn/c1-4-28-19(21)13(11-26-28)8-15-10-18(20(23,24)25)27-29(15)17-7-6-14(22)9-16(17)12(3)30-5-2;1-2-25-15(17)9(8-23-25)5-11-7-14(16(19,20)21)24-26(11)13-4-3-10(18)6-12(13)22;1-3-5-4-2;3*1-3-4-2;/h6-7,9-11H,3-5,8H2,1-2H3;3-4,6-8H,2,5H2,1H3;1,4H2,2H3;3*1,3-4H2,2H3
• InChIKey: YLLBKRRRLPDTNK-UHFFFAOYSA-N
• XLogP: 16.74
• TPSA: 89.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1391.55
LogP ≤ 5	16.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane?

The IUPAC name of 5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane (CID 165101791) is 5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane.

What is the SMILES notation for 5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane?

The canonical SMILES for 5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane is C=C(OCC)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1cc(F)ccc1-n1nc(C(F)(F)F)cc1Cc1cnn(CC)c1Br.CCn1ncc(Cc2cc(C(F)(F)F)nn2-c2ccc(F)cc2I)c1Br.

What is the InChIKey of 5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane?

The InChIKey is YLLBKRRRLPDTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF4N4O.C16H12BrF4IN4.C4H7O.3C4H9.Sn/c1-4-28-19(21)13(11-26-28)8-15-10-18(20(23,24)25)27-29(15)17-7-6-14(22)9-16(17)12(3)30-5-2;1-2-25-15(17)9(8-23-25)5-11-7-14(16(19,20)21)24-26(11)13-4-3-10(18)6-12(13)22;1-3-5-4-2;3*1-3-4-2;/h6-7,9-11H,3-5,8H2,1-2H3;3-4,6-8H,2,5H2,1H3;1,4H2,2H3;3*1,3-4H2,2H3;.

What are the key properties of 5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane?

5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane has a molecular weight of 1391.55 g/mol, XLogP of 16.74, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-[[1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-ethylpyrazole;5-bromo-1-ethyl-4-[[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazole;tributyl(1-ethoxyethenyl)stannane is sourced from PubChem (CID 165101791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).