3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole

C30H25Br2F2I3N8O2 — CID 165099180

About 3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole

3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole (PubChem CID 165099180) has the molecular formula C30H25Br2F2I3N8O2 and a molecular weight of 1108.10 g/mol. Its IUPAC name is 3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole.

Molecular Properties

• Compound Name: 3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole
• PubChem CID: 165099180
• Molecular Formula: C30H25Br2F2I3N8O2
• Molecular Weight: 1108.10 g/mol
• Exact Mass: 1105.76
• IUPAC Name: 3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole
• SMILES: CCn1cc(C(O)c2cc(Br)nn2-c2ccc(F)cc2I)cn1.CCn1cc(I)cn1.O=Cc1cc(Br)nn1-c1ccc(F)cc1I
• InChI: InChI=1S/C15H13BrFIN4O.C10H5BrFIN2O.C5H7IN2/c1-2-21-8-9(7-19-21)15(23)13-6-14(16)20-22(13)12-4-3-10(17)5-11(12)18;11-10-4-7(5-16)15(14-10)9-2-1-6(12)3-8(9)13;1-2-8-4-5(6)3-7-8/h3-8,15,23H,2H2,1H3;1-5H;3-4H,2H2,1H3
• InChIKey: YANMUIVYMIJGDO-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 108.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1108.10
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole?

The IUPAC name of 3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole (CID 165099180) is 3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole.

What is the SMILES notation for 3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole?

The canonical SMILES for 3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole is CCn1cc(C(O)c2cc(Br)nn2-c2ccc(F)cc2I)cn1.CCn1cc(I)cn1.O=Cc1cc(Br)nn1-c1ccc(F)cc1I.

What is the InChIKey of 3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole?

The InChIKey is YANMUIVYMIJGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFIN4O.C10H5BrFIN2O.C5H7IN2/c1-2-21-8-9(7-19-21)15(23)13-6-14(16)20-22(13)12-4-3-10(17)5-11(12)18;11-10-4-7(5-16)15(14-10)9-2-1-6(12)3-8(9)13;1-2-8-4-5(6)3-7-8/h3-8,15,23H,2H2,1H3;1-5H;3-4H,2H2,1H3.

What are the key properties of 3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole?

3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole has a molecular weight of 1108.10 g/mol, XLogP of 8.38, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-(4-fluoro-2-iodophenyl)pyrazole-5-carbaldehyde;[3-bromo-1-(4-fluoro-2-iodophenyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;1-ethyl-4-iodopyrazole is sourced from PubChem (CID 165099180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).