5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole

C98H101F9N12 — CID 160770456

About 5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole

5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole (PubChem CID 160770456) has the molecular formula C98H101F9N12 and a molecular weight of 1617.95 g/mol. Its IUPAC name is 5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole.

Molecular Properties

• Compound Name: 5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole
• PubChem CID: 160770456
• Molecular Formula: C98H101F9N12
• Molecular Weight: 1617.95 g/mol
• Exact Mass: 1616.81
• IUPAC Name: 5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole
• SMILES: CCC(Cc1ccc(-c2cc(C)nn2C)cc1)c1c(F)cccc1F.CCn1nc(C)cc1-c1ccc(CCc2c(F)cccc2F)cc1F.Cc1cc(-c2ccc(CC(C)c3c(F)cccc3F)cc2)n(C)n1.Cc1cc(-c2ccc(CCc3c(C)cnn3C)cc2)n(C)n1.Cc1cc(-c2ccc(CCc3ccccc3F)cc2F)n(C)n1
• InChI: InChI=1S/C21H22F2N2.C20H19F3N2.C20H20F2N2.C19H18F2N2.C18H22N4/c1-4-16(21-18(22)6-5-7-19(21)23)13-15-8-10-17(11-9-15)20-12-14(2)24-25(20)3;1-3-25-20(11-13(2)24-25)16-10-8-14(12-19(16)23)7-9-15-17(21)5-4-6-18(15)22;1-13(20-17(21)5-4-6-18(20)22)11-15-7-9-16(10-8-15)19-12-14(2)23-24(19)3;1-13-11-19(23(2)22-13)16-10-8-14(12-18(16)21)7-9-15-5-3-4-6-17(15)20;1-13-12-19-21(3)17(13)10-7-15-5-8-16(9-6-15)18-11-14(2)20-22(18)4/h5-12,16H,4,13H2,1-3H3;4-6,8,10-12H,3,7,9H2,1-2H3;4-10,12-13H,11H2,1-3H3;3-6,8,10-12H,7,9H2,1-2H3;5-6,8-9,11-12H,7,10H2,1-4H3
• InChIKey: RZGAFEAUUUIKGE-UHFFFAOYSA-N
• XLogP: 23.19
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1617.95
LogP ≤ 5	23.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole?

The IUPAC name of 5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole (CID 160770456) is 5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole.

What is the SMILES notation for 5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole?

The canonical SMILES for 5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole is CCC(Cc1ccc(-c2cc(C)nn2C)cc1)c1c(F)cccc1F.CCn1nc(C)cc1-c1ccc(CCc2c(F)cccc2F)cc1F.Cc1cc(-c2ccc(CC(C)c3c(F)cccc3F)cc2)n(C)n1.Cc1cc(-c2ccc(CCc3c(C)cnn3C)cc2)n(C)n1.Cc1cc(-c2ccc(CCc3ccccc3F)cc2F)n(C)n1.

What is the InChIKey of 5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole?

The InChIKey is RZGAFEAUUUIKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2.C20H19F3N2.C20H20F2N2.C19H18F2N2.C18H22N4/c1-4-16(21-18(22)6-5-7-19(21)23)13-15-8-10-17(11-9-15)20-12-14(2)24-25(20)3;1-3-25-20(11-13(2)24-25)16-10-8-14(12-19(16)23)7-9-15-17(21)5-4-6-18(15)22;1-13(20-17(21)5-4-6-18(20)22)11-15-7-9-16(10-8-15)19-12-14(2)23-24(19)3;1-13-11-19(23(2)22-13)16-10-8-14(12-18(16)21)7-9-15-5-3-4-6-17(15)20;1-13-12-19-21(3)17(13)10-7-15-5-8-16(9-6-15)18-11-14(2)20-22(18)4/h5-12,16H,4,13H2,1-3H3;4-6,8,10-12H,3,7,9H2,1-2H3;4-10,12-13H,11H2,1-3H3;3-6,8,10-12H,7,9H2,1-2H3;5-6,8-9,11-12H,7,10H2,1-4H3.

What are the key properties of 5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole?

5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole has a molecular weight of 1617.95 g/mol, XLogP of 23.19, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-(2,6-difluorophenyl)butyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2-fluorophenyl]-1-ethyl-3-methylpyrazole;5-[4-[2-(2,6-difluorophenyl)propyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(1,4-dimethylpyrazol-5-yl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 160770456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).