3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide

C98H82F21N17O5 — CID 160910428

About 3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide

3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide (PubChem CID 160910428) has the molecular formula C98H82F21N17O5 and a molecular weight of 1976.81 g/mol. Its IUPAC name is 3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide.

Molecular Properties

• Compound Name: 3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide
• PubChem CID: 160910428
• Molecular Formula: C98H82F21N17O5
• Molecular Weight: 1976.81 g/mol
• Exact Mass: 1975.63
• IUPAC Name: 3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide
• SMILES: CCc1cc(-c2ccc(C(=O)Nc3c(F)cccc3F)cc2F)n(CC)n1.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1F.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc(C)c(F)c2F)cc1N.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccccc2C)cc1F.Cc1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)c2)c1
• InChI: InChI=1S/C20H17F5N4O.C20H17F4N3O.C20H18F3N3O.C19H13F6N3O.C19H17F3N4O/c1-3-29-15(9-16(28-29)20(23,24)25)12-6-5-11(8-13(12)26)19(30)27-14-7-4-10(2)17(21)18(14)22;1-3-27-17(11-18(26-27)20(22,23)24)14-9-8-13(10-15(14)21)19(28)25-16-7-5-4-6-12(16)2;1-3-13-11-18(26(4-2)25-13)14-9-8-12(10-17(14)23)20(27)24-19-15(21)6-5-7-16(19)22;1-2-28-15(9-16(27-28)19(23,24)25)11-7-6-10(8-14(11)22)18(29)26-17-12(20)4-3-5-13(17)21;1-11-4-3-5-12(8-11)18(27)24-13-6-7-14(15(23)9-13)16-10-17(19(20,21)22)25-26(16)2/h4-9H,3,26H2,1-2H3,(H,27,30);4-11H,3H2,1-2H3,(H,25,28);5-11H,3-4H2,1-2H3,(H,24,27);3-9H,2H2,1H3,(H,26,29);3-10H,23H2,1-2H3,(H,24,27)
• InChIKey: SQRXJFGCPNPQSK-UHFFFAOYSA-N
• XLogP: 24.61
• TPSA: 286.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1976.81
LogP ≤ 5	24.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide?

The IUPAC name of 3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide (CID 160910428) is 3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide.

What is the SMILES notation for 3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide?

The canonical SMILES for 3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide is CCc1cc(-c2ccc(C(=O)Nc3c(F)cccc3F)cc2F)n(CC)n1.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1F.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc(C)c(F)c2F)cc1N.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccccc2C)cc1F.Cc1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)c2)c1.

What is the InChIKey of 3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide?

The InChIKey is SQRXJFGCPNPQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5N4O.C20H17F4N3O.C20H18F3N3O.C19H13F6N3O.C19H17F3N4O/c1-3-29-15(9-16(28-29)20(23,24)25)12-6-5-11(8-13(12)26)19(30)27-14-7-4-10(2)17(21)18(14)22;1-3-27-17(11-18(26-27)20(22,23)24)14-9-8-13(10-15(14)21)19(28)25-16-7-5-4-6-12(16)2;1-3-13-11-18(26(4-2)25-13)14-9-8-12(10-17(14)23)20(27)24-19-15(21)6-5-7-16(19)22;1-2-28-15(9-16(27-28)19(23,24)25)11-7-6-10(8-14(11)22)18(29)26-17-12(20)4-3-5-13(17)21;1-11-4-3-5-12(8-11)18(27)24-13-6-7-14(15(23)9-13)16-10-17(19(20,21)22)25-26(16)2/h4-9H,3,26H2,1-2H3,(H,27,30);4-11H,3H2,1-2H3,(H,25,28);5-11H,3-4H2,1-2H3,(H,24,27);3-9H,2H2,1H3,(H,26,29);3-10H,23H2,1-2H3,(H,24,27).

What are the key properties of 3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide?

3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide has a molecular weight of 1976.81 g/mol, XLogP of 24.61, 20 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide;N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 160910428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).