4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol

C34H34Br2F2I2N8O — CID 165071708

About 4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol

4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol (PubChem CID 165071708) has the molecular formula C34H34Br2F2I2N8O and a molecular weight of 1022.31 g/mol. Its IUPAC name is 4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol.

Molecular Properties

• Compound Name: 4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
• PubChem CID: 165071708
• Molecular Formula: C34H34Br2F2I2N8O
• Molecular Weight: 1022.31 g/mol
• Exact Mass: 1019.93
• IUPAC Name: 4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
• SMILES: CCc1nn(C)c(C(O)c2cc(C)nn2-c2ccc(F)cc2I)c1Br.CCc1nn(C)c(Cc2cc(C)nn2-c2ccc(F)cc2I)c1Br
• InChI: InChI=1S/C17H17BrFIN4O.C17H17BrFIN4/c1-4-12-15(18)16(23(3)22-12)17(25)14-7-9(2)21-24(14)13-6-5-10(19)8-11(13)20;1-4-14-17(18)16(23(3)22-14)9-12-7-10(2)21-24(12)15-6-5-11(19)8-13(15)20/h5-8,17,25H,4H2,1-3H3;5-8H,4,9H2,1-3H3
• InChIKey: SWLLVHGVYZUXCZ-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 91.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1022.31
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?

The IUPAC name of 4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol (CID 165071708) is 4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol.

What is the SMILES notation for 4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?

The canonical SMILES for 4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol is CCc1nn(C)c(C(O)c2cc(C)nn2-c2ccc(F)cc2I)c1Br.CCc1nn(C)c(Cc2cc(C)nn2-c2ccc(F)cc2I)c1Br.

What is the InChIKey of 4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?

The InChIKey is SWLLVHGVYZUXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFIN4O.C17H17BrFIN4/c1-4-12-15(18)16(23(3)22-12)17(25)14-7-9(2)21-24(14)13-6-5-10(19)8-11(13)20;1-4-14-17(18)16(23(3)22-14)9-12-7-10(2)21-24(12)15-6-5-11(19)8-13(15)20/h5-8,17,25H,4H2,1-3H3;5-8H,4,9H2,1-3H3.

What are the key properties of 4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?

4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol has a molecular weight of 1022.31 g/mol, XLogP of 8.64, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3-ethyl-5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole;(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 165071708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).