N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide

C134H106ClF23N26O8S — CID 167531757

About N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide

N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide (PubChem CID 167531757) has the molecular formula C134H106ClF23N26O8S and a molecular weight of 2712.97 g/mol. Its IUPAC name is N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide
• PubChem CID: 167531757
• Molecular Formula: C134H106ClF23N26O8S
• Molecular Weight: 2712.97 g/mol
• Exact Mass: 2710.77
• IUPAC Name: N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide
• SMILES: CCOc1cc(C)c(-c2cnc(NC(=O)c3c(F)cccc3F)cn2)cn1.CCc1nc2cc(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)c(C)cc2o1.CCn1nc(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)cc1.CCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cc(C)cc2F)cn1.Cc1cc(C(F)F)nn1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F.Cc1cc(F)c(C(=O)Nc2ccc(-n3nc(C(F)F)cc3C)c(F)c2)c(F)c1.Cn1ccc(Cl)c1CNc1ccc(-c2cc(C(F)(F)F)nn2C)cc1
• InChI: InChI=1S/C22H17F2N3O2.C21H17FN4OS.C19H14F5N3O.C19H16F2N4O2.C18H14F5N5O.C18H12F5N3O.C17H16ClF3N4/c1-3-20-26-17-10-14(12(2)9-18(17)29-20)13-7-8-19(25-11-13)27-22(28)21-15(23)5-4-6-16(21)24;1-2-26-19(13-18(25-26)21-23-11-12-28-21)14-7-9-15(10-8-14)24-20(27)16-5-3-4-6-17(16)22;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;1-3-27-17-7-11(2)12(8-24-17)15-9-23-16(10-22-15)25-19(26)18-13(20)5-4-6-14(18)21;1-3-28-13(6-14(27-28)18(21,22)23)12-7-25-15(8-24-12)26-17(29)16-10(19)4-9(2)5-11(16)20;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;1-24-8-7-13(18)15(24)10-22-12-5-3-11(4-6-12)14-9-16(17(19,20)21)23-25(14)2/h4-11H,3H2,1-2H3,(H,25,27,28);3-13H,2H2,1H3,(H,24,27);3-8,18H,1-2H3,(H,25,28);4-10H,3H2,1-2H3,(H,23,25,26);4-8H,3H2,1-2H3,(H,25,26,29);2-8,17H,1H3,(H,24,27);3-9,22H,10H2,1-2H3
• InChIKey: ABIAFRSXOGETBH-UHFFFAOYSA-N
• XLogP: 32.96
• TPSA: 406.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 30
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2712.97
LogP ≤ 5	32.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide?

The IUPAC name of N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide (CID 167531757) is N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide.

What is the SMILES notation for N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide?

The canonical SMILES for N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide is CCOc1cc(C)c(-c2cnc(NC(=O)c3c(F)cccc3F)cn2)cn1.CCc1nc2cc(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)c(C)cc2o1.CCn1nc(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)cc1.CCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cc(C)cc2F)cn1.Cc1cc(C(F)F)nn1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F.Cc1cc(F)c(C(=O)Nc2ccc(-n3nc(C(F)F)cc3C)c(F)c2)c(F)c1.Cn1ccc(Cl)c1CNc1ccc(-c2cc(C(F)(F)F)nn2C)cc1.

What is the InChIKey of N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide?

The InChIKey is ABIAFRSXOGETBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2.C21H17FN4OS.C19H14F5N3O.C19H16F2N4O2.C18H14F5N5O.C18H12F5N3O.C17H16ClF3N4/c1-3-20-26-17-10-14(12(2)9-18(17)29-20)13-7-8-19(25-11-13)27-22(28)21-15(23)5-4-6-16(21)24;1-2-26-19(13-18(25-26)21-23-11-12-28-21)14-7-9-15(10-8-14)24-20(27)16-5-3-4-6-17(16)22;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;1-3-27-17-7-11(2)12(8-24-17)15-9-23-16(10-22-15)25-19(26)18-13(20)5-4-6-14(18)21;1-3-28-13(6-14(27-28)18(21,22)23)12-7-25-15(8-24-12)26-17(29)16-10(19)4-9(2)5-11(16)20;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;1-24-8-7-13(18)15(24)10-22-12-5-3-11(4-6-12)14-9-16(17(19,20)21)23-25(14)2/h4-11H,3H2,1-2H3,(H,25,27,28);3-13H,2H2,1H3,(H,24,27);3-8,18H,1-2H3,(H,25,28);4-10H,3H2,1-2H3,(H,23,25,26);4-8H,3H2,1-2H3,(H,25,26,29);2-8,17H,1H3,(H,24,27);3-9,22H,10H2,1-2H3.

What are the key properties of N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide?

N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide has a molecular weight of 2712.97 g/mol, XLogP of 32.96, 30 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-1-methylpyrrol-2-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2-ethyl-6-methyl-1,3-benzoxazol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[4-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]phenyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]-2,6-difluoro-4-methylbenzamide is sourced from PubChem (CID 167531757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).