4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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

C96H77ClF13N21O7S — CID 163652170

About 4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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

4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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 163652170) has the molecular formula C96H77ClF13N21O7S and a molecular weight of 1951.31 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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: 4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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: 163652170
• Molecular Formula: C96H77ClF13N21O7S
• Molecular Weight: 1951.31 g/mol
• Exact Mass: 1949.55
• IUPAC Name: 4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(Cl)cnn2C)cc1
• InChI: InChI=1S/C22H17F2N3O2.C21H17FN4OS.C19H16F2N4O2.C18H14F5N5O.C16H13ClF3N5O/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;1-24-12(7-13(23-24)16(18,19)20)9-3-5-10(6-4-9)22-15(26)14-11(17)8-21-25(14)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);3-8H,1-2H3,(H,22,26)
• InChIKey: INCRYUSWSSLOGL-UHFFFAOYSA-N
• XLogP: 22.12
• TPSA: 342.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1951.31
LogP ≤ 5	22.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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 4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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 163652170) is 4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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 4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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 4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(Cl)cnn2C)cc1.

What is the InChIKey of 4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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 INCRYUSWSSLOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2.C21H17FN4OS.C19H16F2N4O2.C18H14F5N5O.C16H13ClF3N5O/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;1-24-12(7-13(23-24)16(18,19)20)9-3-5-10(6-4-9)22-15(26)14-11(17)8-21-25(14)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);3-8H,1-2H3,(H,22,26).

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

4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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 1951.31 g/mol, XLogP of 22.12, 21 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-5-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 163652170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).