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

C24H28BrCuI2N6O2 — CID 165025312

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

5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole;3-cyclobutyl-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper (PubChem CID 165025312) has the molecular formula C24H28BrCuI2N6O2 and a molecular weight of 829.79 g/mol. Its IUPAC name is 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole;3-cyclobutyl-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-cyclobutyl-1,2-oxazole;3-cyclobutyl-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper
• PubChem CID: 165025312
• Molecular Formula: C24H28BrCuI2N6O2
• Molecular Weight: 829.79 g/mol
• Exact Mass: 827.88
• IUPAC Name: 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole;3-cyclobutyl-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper
• SMILES: Cn1cc(Cc2cc(C3CCC3)no2)c(Br)n1.Cn1cc(Cc2cc(C3CCC3)no2)c(I)n1.[Cu]I
• InChI: InChI=1S/C12H14BrN3O.C12H14IN3O.Cu.HI/c2*1-16-7-9(12(13)14-16)5-10-6-11(15-17-10)8-3-2-4-8;;/h2*6-8H,2-5H2,1H3;;1H/q;;+1;/p-1
• InChIKey: LUFNTJIDLONKAP-UHFFFAOYSA-M
• XLogP: 6.78
• TPSA: 87.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.79
LogP ≤ 5	6.78
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-cyclobutyl-1,2-oxazole;3-cyclobutyl-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-cyclobutyl-1,2-oxazole;3-cyclobutyl-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper (CID 165025312) is 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole;3-cyclobutyl-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-cyclobutyl-1,2-oxazole;3-cyclobutyl-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-cyclobutyl-1,2-oxazole;3-cyclobutyl-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper is Cn1cc(Cc2cc(C3CCC3)no2)c(Br)n1.Cn1cc(Cc2cc(C3CCC3)no2)c(I)n1.[Cu]I.

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

The InChIKey is LUFNTJIDLONKAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14BrN3O.C12H14IN3O.Cu.HI/c2*1-16-7-9(12(13)14-16)5-10-6-11(15-17-10)8-3-2-4-8;;/h2*6-8H,2-5H2,1H3;;1H/q;;+1;/p-1.

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

5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole;3-cyclobutyl-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper has a molecular weight of 829.79 g/mol, XLogP of 6.78, 6 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-cyclobutyl-1,2-oxazole;3-cyclobutyl-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper is sourced from PubChem (CID 165025312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).