[1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole

C36H36F2I2N8O — CID 165079206

About [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole

[1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole (PubChem CID 165079206) has the molecular formula C36H36F2I2N8O and a molecular weight of 888.54 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole.

Molecular Properties

• Compound Name: [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole
• PubChem CID: 165079206
• Molecular Formula: C36H36F2I2N8O
• Molecular Weight: 888.54 g/mol
• Exact Mass: 888.11
• IUPAC Name: [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole
• SMILES: Cc1cc(C(O)c2cnn(CC3CC3)c2)n(-c2ccc(F)cc2I)n1.Cc1cc(Cc2cnn(CC3CC3)c2)n(-c2ccc(F)cc2I)n1
• InChI: InChI=1S/C18H18FIN4O.C18H18FIN4/c1-11-6-17(24(22-11)16-5-4-14(19)7-15(16)20)18(25)13-8-21-23(10-13)9-12-2-3-12;1-12-6-16(7-14-9-21-23(11-14)10-13-2-3-13)24(22-12)18-5-4-15(19)8-17(18)20/h4-8,10,12,18,25H,2-3,9H2,1H3;4-6,8-9,11,13H,2-3,7,10H2,1H3
• InChIKey: UVLHPOXTHCGTIV-UHFFFAOYSA-N
• XLogP: 7.73
• TPSA: 91.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.54
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole (CID 165079206) is [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole.

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

The canonical SMILES for [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole is Cc1cc(C(O)c2cnn(CC3CC3)c2)n(-c2ccc(F)cc2I)n1.Cc1cc(Cc2cnn(CC3CC3)c2)n(-c2ccc(F)cc2I)n1.

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

The InChIKey is UVLHPOXTHCGTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FIN4O.C18H18FIN4/c1-11-6-17(24(22-11)16-5-4-14(19)7-15(16)20)18(25)13-8-21-23(10-13)9-12-2-3-12;1-12-6-16(7-14-9-21-23(11-14)10-13-2-3-13)24(22-12)18-5-4-15(19)8-17(18)20/h4-8,10,12,18,25H,2-3,9H2,1H3;4-6,8-9,11,13H,2-3,7,10H2,1H3.

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

[1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole has a molecular weight of 888.54 g/mol, XLogP of 7.73, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol;5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole is sourced from PubChem (CID 165079206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).