3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C98H77F21N20O5S — CID 161443121

About 3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 161443121) has the molecular formula C98H77F21N20O5S and a molecular weight of 2045.85 g/mol. Its IUPAC name is 3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
• PubChem CID: 161443121
• Molecular Formula: C98H77F21N20O5S
• Molecular Weight: 2045.85 g/mol
• Exact Mass: 2044.58
• IUPAC Name: 3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
• SMILES: CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1C#N.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1N.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc(C)c(F)c2F)cc1C#N.Cc1cnsc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C(C)C)c(F)c1.Cn1nc(C2CC2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1N
• InChI: InChI=1S/C21H15F5N4O.C20H13F5N4O.C20H18F2N4O.C19H15F5N4O.C18H16F4N4OS/c1-3-30-16(9-17(29-30)21(24,25)26)14-6-5-12(8-13(14)10-27)20(31)28-15-7-4-11(2)18(22)19(15)23;1-2-29-16(9-17(28-29)20(23,24)25)13-7-6-11(8-12(13)10-26)19(30)27-18-14(21)4-3-5-15(18)22;1-26-18(10-17(25-26)11-5-6-11)13-8-7-12(9-16(13)23)20(27)24-19-14(21)3-2-4-15(19)22;1-2-28-15(9-16(27-28)19(22,23)24)11-7-6-10(8-14(11)25)18(29)26-17-12(20)4-3-5-13(17)21;1-9(2)26-14(7-15(25-26)18(20,21)22)12-5-4-11(6-13(12)19)16(27)24-17-10(3)8-23-28-17/h4-9H,3H2,1-2H3,(H,28,31);3-9H,2H2,1H3,(H,27,30);2-4,7-11H,5-6,23H2,1H3,(H,24,27);3-9H,2,25H2,1H3,(H,26,29);4-9H,1-3H3,(H,24,27)
• InChIKey: VZNUQBJDWVARBG-UHFFFAOYSA-N
• XLogP: 24.38
• TPSA: 347.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2045.85
LogP ≤ 5	24.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?

The IUPAC name of 3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 161443121) is 3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

What is the SMILES notation for 3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?

The canonical SMILES for 3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1C#N.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1N.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc(C)c(F)c2F)cc1C#N.Cc1cnsc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C(C)C)c(F)c1.Cn1nc(C2CC2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1N.

What is the InChIKey of 3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?

The InChIKey is VZNUQBJDWVARBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N4O.C20H13F5N4O.C20H18F2N4O.C19H15F5N4O.C18H16F4N4OS/c1-3-30-16(9-17(29-30)21(24,25)26)14-6-5-12(8-13(14)10-27)20(31)28-15-7-4-11(2)18(22)19(15)23;1-2-29-16(9-17(28-29)20(23,24)25)13-7-6-11(8-12(13)10-26)19(30)27-18-14(21)4-3-5-15(18)22;1-26-18(10-17(25-26)11-5-6-11)13-8-7-12(9-16(13)23)20(27)24-19-14(21)3-2-4-15(19)22;1-2-28-15(9-16(27-28)19(22,23)24)11-7-6-10(8-14(11)25)18(29)26-17-12(20)4-3-5-13(17)21;1-9(2)26-14(7-15(25-26)18(20,21)22)12-5-4-11(6-13(12)19)16(27)24-17-10(3)8-23-28-17/h4-9H,3H2,1-2H3,(H,28,31);3-9H,2H2,1H3,(H,27,30);2-4,7-11H,5-6,23H2,1H3,(H,24,27);3-9H,2,25H2,1H3,(H,26,29);4-9H,1-3H3,(H,24,27).

What are the key properties of 3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?

3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 2045.85 g/mol, XLogP of 24.38, 20 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,3-difluoro-4-methylphenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-cyano-N-(2,6-difluorophenyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-fluoro-N-(4-methyl-1,2-thiazol-5-yl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 161443121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).