[1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole

C32H22F12I2N8O — CID 165058449

About [1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole

[1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 165058449) has the molecular formula C32H22F12I2N8O and a molecular weight of 1016.37 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

• Compound Name: [1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole
• PubChem CID: 165058449
• Molecular Formula: C32H22F12I2N8O
• Molecular Weight: 1016.37 g/mol
• Exact Mass: 1015.98
• IUPAC Name: [1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole
• SMILES: Fc1ccc(-n2nc(C(F)(F)F)cc2Cc2cnn(CC(F)F)c2)c(I)c1.OC(c1cnn(CC(F)F)c1)c1cc(C(F)(F)F)nn1-c1ccc(F)cc1I
• InChI: InChI=1S/C16H11F6IN4O.C16H11F6IN4/c17-9-1-2-11(10(23)3-9)27-12(4-13(25-27)16(20,21)22)15(28)8-5-24-26(6-8)7-14(18)19;17-10-1-2-13(12(23)4-10)27-11(5-14(25-27)16(20,21)22)3-9-6-24-26(7-9)8-15(18)19/h1-6,14-15,28H,7H2;1-2,4-7,15H,3,8H2
• InChIKey: QUTSAEDMQYOSOE-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 91.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1016.37
LogP ≤ 5	8.87
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-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole?

The IUPAC name of [1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole (CID 165058449) is [1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole.

What is the SMILES notation for [1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole?

The canonical SMILES for [1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole is Fc1ccc(-n2nc(C(F)(F)F)cc2Cc2cnn(CC(F)F)c2)c(I)c1.OC(c1cnn(CC(F)F)c1)c1cc(C(F)(F)F)nn1-c1ccc(F)cc1I.

What is the InChIKey of [1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole?

The InChIKey is QUTSAEDMQYOSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6IN4O.C16H11F6IN4/c17-9-1-2-11(10(23)3-9)27-12(4-13(25-27)16(20,21)22)15(28)8-5-24-26(6-8)7-14(18)19;17-10-1-2-13(12(23)4-10)27-11(5-14(25-27)16(20,21)22)3-9-6-24-26(7-9)8-15(18)19/h1-6,14-15,28H,7H2;1-2,4-7,15H,3,8H2.

What are the key properties of [1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole?

[1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 1016.37 g/mol, XLogP of 8.87, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 165058449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).