3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline

C90H69ClF23N17O4 — CID 160521822

About 3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline

3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline (PubChem CID 160521822) has the molecular formula C90H69ClF23N17O4 and a molecular weight of 1925.06 g/mol. Its IUPAC name is 3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline.

Molecular Properties

• Compound Name: 3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
• PubChem CID: 160521822
• Molecular Formula: C90H69ClF23N17O4
• Molecular Weight: 1925.06 g/mol
• Exact Mass: 1923.50
• IUPAC Name: 3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
• SMILES: CC1=NCC=C1CNc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.Cc1cc(C(F)F)nn1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F.Cc1cc(F)c(C(=O)Nc2ccc(-c3cc(C(F)F)nn3C)c(F)c2)c(F)c1.Cc1cc(F)c(C(=O)Nc2ccc(-n3nc(C(F)F)cc3C)c(F)c2)c(F)c1.Cn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1
• InChI: InChI=1S/2C19H14F5N3O.C18H12F5N3O.C17H13ClF4N4O.C17H16F4N4/c1-9-5-13(21)17(14(22)6-9)19(28)25-10-3-4-11(12(20)7-10)16-8-15(18(23)24)26-27(16)2;1-9-5-13(21)17(14(22)6-9)19(28)25-11-3-4-16(12(20)8-11)27-10(2)7-15(26-27)18(23)24;1-9-7-14(17(22)23)25-26(9)15-6-5-10(8-13(15)21)24-18(27)16-11(19)3-2-4-12(16)20;1-25-6-5-11(18)15(25)16(27)23-9-3-4-10(12(19)7-9)13-8-14(17(20,21)22)24-26(13)2;1-10-11(5-6-22-10)9-23-12-3-4-13(14(18)7-12)15-8-16(17(19,20)21)24-25(15)2/h2*3-8,18H,1-2H3,(H,25,28);2-8,17H,1H3,(H,24,27);3-8H,1-2H3,(H,23,27);3-5,7-8,23H,6,9H2,1-2H3
• InChIKey: QUJJPRCQIFRQLW-UHFFFAOYSA-N
• XLogP: 23.43
• TPSA: 234.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1925.06
LogP ≤ 5	23.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?

The IUPAC name of 3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline (CID 160521822) is 3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline.

What is the SMILES notation for 3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?

The canonical SMILES for 3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline is CC1=NCC=C1CNc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.Cc1cc(C(F)F)nn1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F.Cc1cc(F)c(C(=O)Nc2ccc(-c3cc(C(F)F)nn3C)c(F)c2)c(F)c1.Cc1cc(F)c(C(=O)Nc2ccc(-n3nc(C(F)F)cc3C)c(F)c2)c(F)c1.Cn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.

What is the InChIKey of 3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?

The InChIKey is QUJJPRCQIFRQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14F5N3O.C18H12F5N3O.C17H13ClF4N4O.C17H16F4N4/c1-9-5-13(21)17(14(22)6-9)19(28)25-10-3-4-11(12(20)7-10)16-8-15(18(23)24)26-27(16)2;1-9-5-13(21)17(14(22)6-9)19(28)25-11-3-4-16(12(20)8-11)27-10(2)7-15(26-27)18(23)24;1-9-7-14(17(22)23)25-26(9)15-6-5-10(8-13(15)21)24-18(27)16-11(19)3-2-4-12(16)20;1-25-6-5-11(18)15(25)16(27)23-9-3-4-10(12(19)7-9)13-8-14(17(20,21)22)24-26(13)2;1-10-11(5-6-22-10)9-23-12-3-4-13(14(18)7-12)15-8-16(17(19,20)21)24-25(15)2/h2*3-8,18H,1-2H3,(H,25,28);2-8,17H,1H3,(H,24,27);3-8H,1-2H3,(H,23,27);3-5,7-8,23H,6,9H2,1-2H3.

What are the key properties of 3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?

3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline has a molecular weight of 1925.06 g/mol, XLogP of 23.43, 19 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline is sourced from PubChem (CID 160521822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).