5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile

C32H26F2I2N10O — CID 165010536

About 5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile

5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile (PubChem CID 165010536) has the molecular formula C32H26F2I2N10O and a molecular weight of 858.43 g/mol. Its IUPAC name is 5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile
• PubChem CID: 165010536
• Molecular Formula: C32H26F2I2N10O
• Molecular Weight: 858.43 g/mol
• Exact Mass: 858.03
• IUPAC Name: 5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile
• SMILES: Cc1cc(C(O)c2cc(C#N)nn2C)n(-c2ccc(F)cc2I)n1.Cc1cc(Cc2cc(C#N)nn2C)n(-c2ccc(F)cc2I)n1
• InChI: InChI=1S/C16H13FIN5O.C16H13FIN5/c1-9-5-15(16(24)14-7-11(8-19)21-22(14)2)23(20-9)13-4-3-10(17)6-12(13)18;1-10-5-14(8-13-7-12(9-19)21-22(13)2)23(20-10)16-4-3-11(17)6-15(16)18/h3-7,16,24H,1-2H3;3-7H,8H2,1-2H3
• InChIKey: JQDMFALMEFKAPZ-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 139.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	858.43
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile (CID 165010536) is 5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile.

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

The canonical SMILES for 5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile is Cc1cc(C(O)c2cc(C#N)nn2C)n(-c2ccc(F)cc2I)n1.Cc1cc(Cc2cc(C#N)nn2C)n(-c2ccc(F)cc2I)n1.

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

The InChIKey is JQDMFALMEFKAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FIN5O.C16H13FIN5/c1-9-5-15(16(24)14-7-11(8-19)21-22(14)2)23(20-9)13-4-3-10(17)6-12(13)18;1-10-5-14(8-13-7-12(9-19)21-22(13)2)23(20-10)16-4-3-11(17)6-15(16)18/h3-7,16,24H,1-2H3;3-7H,8H2,1-2H3.

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

5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile has a molecular weight of 858.43 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;5-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 165010536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).