3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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

C97H78ClF13N20O7S — CID 162039282

About 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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

3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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 162039282) has the molecular formula C97H78ClF13N20O7S and a molecular weight of 1950.32 g/mol. Its IUPAC name is 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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: 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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: 162039282
• Molecular Formula: C97H78ClF13N20O7S
• Molecular Weight: 1950.32 g/mol
• Exact Mass: 1948.56
• IUPAC Name: 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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.Cn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)cc1
• InChI: InChI=1S/C22H17F2N3O2.C21H17FN4OS.C19H16F2N4O2.C18H14F5N5O.C17H14ClF3N4O/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;1-3-27-17-7-11(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;1-24-8-7-12(18)15(24)16(26)22-11-5-3-10(4-6-11)13-9-14(17(19,20)21)23-25(13)2/h4-11H,3H2,1-2H3,(H,25,27,28);3-13H,2H2,1H3,(H,24,27);4-10H,3H2,1-2H3,(H,23,25,26);4-8H,3H2,1-2H3,(H,25,26,29);3-9H,1-2H3,(H,22,26)
• InChIKey: YXBCPQQGHYRNFM-UHFFFAOYSA-N
• XLogP: 22.72
• TPSA: 329.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1950.32
LogP ≤ 5	22.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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 162039282) is 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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.Cn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)cc1.

What is the InChIKey of 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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 YXBCPQQGHYRNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2.C21H17FN4OS.C19H16F2N4O2.C18H14F5N5O.C17H14ClF3N4O/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;1-3-27-17-7-11(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;1-24-8-7-12(18)15(24)16(26)22-11-5-3-10(4-6-11)13-9-14(17(19,20)21)23-25(13)2/h4-11H,3H2,1-2H3,(H,25,27,28);3-13H,2H2,1H3,(H,24,27);4-10H,3H2,1-2H3,(H,23,25,26);4-8H,3H2,1-2H3,(H,25,26,29);3-9H,1-2H3,(H,22,26).

What are the key properties of 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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?

3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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 1950.32 g/mol, XLogP of 22.72, 21 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;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 162039282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).