bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline

C92H70F29N15 — CID 159346310

About bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline

bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline (PubChem CID 159346310) has the molecular formula C92H70F29N15 and a molecular weight of 1936.62 g/mol. Its IUPAC name is bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline.

Molecular Properties

• Compound Name: bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline
• PubChem CID: 159346310
• Molecular Formula: C92H70F29N15
• Molecular Weight: 1936.62 g/mol
• Exact Mass: 1935.55
• IUPAC Name: bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline
• SMILES: Cc1cc(C)c(CNc2ccc(-c3cn(C(F)F)nc3C(F)F)c(F)c2)c(F)c1.Cc1nn(C(F)F)cc1-c1ccc(NCc2ccccc2F)cc1.Fc1cc(NCc2c(F)cccc2F)ccc1-c1cn(C(F)F)nc1C(F)F.Fc1cc(NCc2c(F)cccc2F)ccc1-c1cn(C(F)F)nc1C(F)F.Fc1ccccc1CNc1ccc(-c2cn(C(F)F)nc2C(F)F)c(F)c1
• InChI: InChI=1S/C20H17F6N3.2C18H12F7N3.C18H13F6N3.C18H16F3N3/c1-10-5-11(2)14(16(21)6-10)8-27-12-3-4-13(17(22)7-12)15-9-29(20(25)26)28-18(15)19(23)24;2*19-13-2-1-3-14(20)11(13)7-26-9-4-5-10(15(21)6-9)12-8-28(18(24)25)27-16(12)17(22)23;19-14-4-2-1-3-10(14)8-25-11-5-6-12(15(20)7-11)13-9-27(18(23)24)26-16(13)17(21)22;1-12-16(11-24(23-12)18(20)21)13-6-8-15(9-7-13)22-10-14-4-2-3-5-17(14)19/h3-7,9,19-20,27H,8H2,1-2H3;2*1-6,8,17-18,26H,7H2;1-7,9,17-18,25H,8H2;2-9,11,18,22H,10H2,1H3
• InChIKey: LGTQDPGTOLGMSL-UHFFFAOYSA-N
• XLogP: 28.99
• TPSA: 149.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 29
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1936.62
LogP ≤ 5	28.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline?

The IUPAC name of bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline (CID 159346310) is bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline.

What is the SMILES notation for bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline?

The canonical SMILES for bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline is Cc1cc(C)c(CNc2ccc(-c3cn(C(F)F)nc3C(F)F)c(F)c2)c(F)c1.Cc1nn(C(F)F)cc1-c1ccc(NCc2ccccc2F)cc1.Fc1cc(NCc2c(F)cccc2F)ccc1-c1cn(C(F)F)nc1C(F)F.Fc1cc(NCc2c(F)cccc2F)ccc1-c1cn(C(F)F)nc1C(F)F.Fc1ccccc1CNc1ccc(-c2cn(C(F)F)nc2C(F)F)c(F)c1.

What is the InChIKey of bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline?

The InChIKey is LGTQDPGTOLGMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F6N3.2C18H12F7N3.C18H13F6N3.C18H16F3N3/c1-10-5-11(2)14(16(21)6-10)8-27-12-3-4-13(17(22)7-12)15-9-29(20(25)26)28-18(15)19(23)24;2*19-13-2-1-3-14(20)11(13)7-26-9-4-5-10(15(21)6-9)12-8-28(18(24)25)27-16(12)17(22)23;19-14-4-2-1-3-10(14)8-25-11-5-6-12(15(20)7-11)13-9-27(18(23)24)26-16(13)17(21)22;1-12-16(11-24(23-12)18(20)21)13-6-8-15(9-7-13)22-10-14-4-2-3-5-17(14)19/h3-7,9,19-20,27H,8H2,1-2H3;2*1-6,8,17-18,26H,7H2;1-7,9,17-18,25H,8H2;2-9,11,18,22H,10H2,1H3.

What are the key properties of bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline?

bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline has a molecular weight of 1936.62 g/mol, XLogP of 28.99, 29 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-N-[(2,6-difluorophenyl)methyl]-3-fluoroaniline);4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluoro-4,6-dimethylphenyl)methyl]aniline;4-[1,3-bis(difluoromethyl)pyrazol-4-yl]-3-fluoro-N-[(2-fluorophenyl)methyl]aniline;4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N-[(2-fluorophenyl)methyl]aniline is sourced from PubChem (CID 159346310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).