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

C34H35F2I3N8O2 — CID 165034433

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

3-ethyl-5-iodo-1-methylpyrazole;(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;2-(4-fluoro-2-iodophenyl)-5-methylpyrazole-3-carbaldehyde (PubChem CID 165034433) has the molecular formula C34H35F2I3N8O2 and a molecular weight of 1006.42 g/mol. Its IUPAC name is 3-ethyl-5-iodo-1-methylpyrazole;(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;2-(4-fluoro-2-iodophenyl)-5-methylpyrazole-3-carbaldehyde.

Molecular Properties

• Compound Name: 3-ethyl-5-iodo-1-methylpyrazole;(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;2-(4-fluoro-2-iodophenyl)-5-methylpyrazole-3-carbaldehyde
• PubChem CID: 165034433
• Molecular Formula: C34H35F2I3N8O2
• Molecular Weight: 1006.42 g/mol
• Exact Mass: 1006.00
• IUPAC Name: 3-ethyl-5-iodo-1-methylpyrazole;(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;2-(4-fluoro-2-iodophenyl)-5-methylpyrazole-3-carbaldehyde
• SMILES: CCc1cc(C(O)c2cc(C)nn2-c2ccc(F)cc2I)n(C)n1.CCc1cc(I)n(C)n1.Cc1cc(C=O)n(-c2ccc(F)cc2I)n1
• InChI: InChI=1S/C17H18FIN4O.C11H8FIN2O.C6H9IN2/c1-4-12-9-15(22(3)21-12)17(24)16-7-10(2)20-23(16)14-6-5-11(18)8-13(14)19;1-7-4-9(6-16)15(14-7)11-3-2-8(12)5-10(11)13;1-3-5-4-6(7)9(2)8-5/h5-9,17,24H,4H2,1-3H3;2-6H,1H3;4H,3H2,1-2H3
• InChIKey: NDVPEAOVBTWOJZ-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 108.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.42
LogP ≤ 5	7.63
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-ethyl-5-iodo-1-methylpyrazole;(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;2-(4-fluoro-2-iodophenyl)-5-methylpyrazole-3-carbaldehyde?

The IUPAC name of 3-ethyl-5-iodo-1-methylpyrazole;(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;2-(4-fluoro-2-iodophenyl)-5-methylpyrazole-3-carbaldehyde (CID 165034433) is 3-ethyl-5-iodo-1-methylpyrazole;(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;2-(4-fluoro-2-iodophenyl)-5-methylpyrazole-3-carbaldehyde.

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

The canonical SMILES for 3-ethyl-5-iodo-1-methylpyrazole;(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;2-(4-fluoro-2-iodophenyl)-5-methylpyrazole-3-carbaldehyde is CCc1cc(C(O)c2cc(C)nn2-c2ccc(F)cc2I)n(C)n1.CCc1cc(I)n(C)n1.Cc1cc(C=O)n(-c2ccc(F)cc2I)n1.

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

The InChIKey is NDVPEAOVBTWOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FIN4O.C11H8FIN2O.C6H9IN2/c1-4-12-9-15(22(3)21-12)17(24)16-7-10(2)20-23(16)14-6-5-11(18)8-13(14)19;1-7-4-9(6-16)15(14-7)11-3-2-8(12)5-10(11)13;1-3-5-4-6(7)9(2)8-5/h5-9,17,24H,4H2,1-3H3;2-6H,1H3;4H,3H2,1-2H3.

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

3-ethyl-5-iodo-1-methylpyrazole;(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;2-(4-fluoro-2-iodophenyl)-5-methylpyrazole-3-carbaldehyde has a molecular weight of 1006.42 g/mol, XLogP of 7.63, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-5-iodo-1-methylpyrazole;(3-ethyl-1-methylpyrazol-5-yl)-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;2-(4-fluoro-2-iodophenyl)-5-methylpyrazole-3-carbaldehyde is sourced from PubChem (CID 165034433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).