5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper

C20H20BrCuF4I2N6O2 — CID 165018765

About 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper

5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper (PubChem CID 165018765) has the molecular formula C20H20BrCuF4I2N6O2 and a molecular weight of 849.67 g/mol. Its IUPAC name is 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper.

Molecular Properties

• Compound Name: 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper
• PubChem CID: 165018765
• Molecular Formula: C20H20BrCuF4I2N6O2
• Molecular Weight: 849.67 g/mol
• Exact Mass: 847.82
• IUPAC Name: 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper
• SMILES: Cn1cc(Cc2cc(CC(F)F)no2)c(Br)n1.Cn1cc(Cc2cc(CC(F)F)no2)c(I)n1.[Cu]I
• InChI: InChI=1S/C10H10BrF2N3O.C10H10F2IN3O.Cu.HI/c1-16-5-6(10(11)14-16)2-8-3-7(15-17-8)4-9(12)13;1-16-5-6(10(13)14-16)2-8-3-7(15-17-8)4-9(11)12;;/h2*3,5,9H,2,4H2,1H3;;1H/q;;+1;/p-1
• InChIKey: KVIJQFHCCHCUPI-UHFFFAOYSA-M
• XLogP: 5.86
• TPSA: 87.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.67
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper?

The IUPAC name of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper (CID 165018765) is 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper.

What is the SMILES notation for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper?

The canonical SMILES for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper is Cn1cc(Cc2cc(CC(F)F)no2)c(Br)n1.Cn1cc(Cc2cc(CC(F)F)no2)c(I)n1.[Cu]I.

What is the InChIKey of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper?

The InChIKey is KVIJQFHCCHCUPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10BrF2N3O.C10H10F2IN3O.Cu.HI/c1-16-5-6(10(11)14-16)2-8-3-7(15-17-8)4-9(12)13;1-16-5-6(10(13)14-16)2-8-3-7(15-17-8)4-9(11)12;;/h2*3,5,9H,2,4H2,1H3;;1H/q;;+1;/p-1.

What are the key properties of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper?

5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper has a molecular weight of 849.67 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper is sourced from PubChem (CID 165018765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).