3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C98H79F19N20O6S — CID 158989182

About 3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 158989182) has the molecular formula C98H79F19N20O6S and a molecular weight of 2025.87 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
• PubChem CID: 158989182
• Molecular Formula: C98H79F19N20O6S
• Molecular Weight: 2025.87 g/mol
• Exact Mass: 2024.59
• IUPAC Name: 3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
• SMILES: CCc1cc(-c2ccc(C(=O)Nc3ccc(C)c(F)c3F)cc2N)n(CC)n1.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc3scnc3c2)cc1N.Cc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)c2)c(F)c1F.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cc3ccccc3o2)cc1N
• InChI: InChI=1S/C21H22F2N4O.C20H16F3N5OS.C20H15F3N4O2.C19H15F5N4O.C18H11F6N3O/c1-4-14-11-18(27(5-2)26-14)15-8-7-13(10-16(15)24)21(28)25-17-9-6-12(3)19(22)20(17)23;1-2-28-16(9-18(27-28)20(21,22)23)13-5-3-11(7-14(13)24)19(29)26-12-4-6-17-15(8-12)25-10-30-17;1-27-15(10-18(26-27)20(21,22)23)13-7-6-12(9-14(13)24)25-19(28)17-8-11-4-2-3-5-16(11)29-17;1-9-3-6-13(17(21)16(9)20)26-18(29)10-4-5-11(12(25)7-10)14-8-15(19(22,23)24)27-28(14)2;1-27-14(8-15(26-27)18(22,23)24)10-6-5-9(7-13(10)21)17(28)25-16-11(19)3-2-4-12(16)20/h6-11H,4-5,24H2,1-3H3,(H,25,28);3-10H,2,24H2,1H3,(H,26,29);2-10H,24H2,1H3,(H,25,28);3-8H,25H2,1-2H3,(H,26,29);2-8H,1H3,(H,25,28)
• InChIKey: JPYLELIGVZITNM-UHFFFAOYSA-N
• XLogP: 23.58
• TPSA: 364.71 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2025.87
LogP ≤ 5	23.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?

The IUPAC name of 3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 158989182) is 3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

What is the SMILES notation for 3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?

The canonical SMILES for 3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is CCc1cc(-c2ccc(C(=O)Nc3ccc(C)c(F)c3F)cc2N)n(CC)n1.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc3scnc3c2)cc1N.Cc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)c2)c(F)c1F.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cc3ccccc3o2)cc1N.

What is the InChIKey of 3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?

The InChIKey is JPYLELIGVZITNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O.C20H16F3N5OS.C20H15F3N4O2.C19H15F5N4O.C18H11F6N3O/c1-4-14-11-18(27(5-2)26-14)15-8-7-13(10-16(15)24)21(28)25-17-9-6-12(3)19(22)20(17)23;1-2-28-16(9-18(27-28)20(21,22)23)13-5-3-11(7-14(13)24)19(29)26-12-4-6-17-15(8-12)25-10-30-17;1-27-15(10-18(26-27)20(21,22)23)13-7-6-12(9-14(13)24)25-19(28)17-8-11-4-2-3-5-16(11)29-17;1-9-3-6-13(17(21)16(9)20)26-18(29)10-4-5-11(12(25)7-10)14-8-15(19(22,23)24)27-28(14)2;1-27-14(8-15(26-27)18(22,23)24)10-6-5-9(7-13(10)21)17(28)25-16-11(19)3-2-4-12(16)20/h6-11H,4-5,24H2,1-3H3,(H,25,28);3-10H,2,24H2,1H3,(H,26,29);2-10H,24H2,1H3,(H,25,28);3-8H,25H2,1-2H3,(H,26,29);2-8H,1H3,(H,25,28).

What are the key properties of 3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?

3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 2025.87 g/mol, XLogP of 23.58, 18 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(1,3-benzothiazol-5-yl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)benzamide;3-amino-N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[3-amino-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-benzofuran-2-carboxamide;N-(2,6-difluorophenyl)-3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 158989182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).