N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-cyano-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-fluorophenyl)benzamide;3-cyano-N-(3-fluorophenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(3-fluorophenyl)benzamide

C119H87F26N25O12S — CID 160897943

About N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-cyano-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-fluorophenyl)benzamide;3-cyano-N-(3-fluorophenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(3-fluorophenyl)benzamide

N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-cyano-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-fluorophenyl)benzamide;3-cyano-N-(3-fluorophenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(3-fluorophenyl)benzamide (PubChem CID 160897943) has the molecular formula C119H87F26N25O12S and a molecular weight of 2585.18 g/mol. Its IUPAC name is N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-cyano-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-fluorophenyl)benzamide;3-cyano-N-(3-fluorophenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(3-fluorophenyl)benzamide.

Molecular Properties

• Compound Name: N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-cyano-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-fluorophenyl)benzamide;3-cyano-N-(3-fluorophenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(3-fluorophenyl)benzamide
• PubChem CID: 160897943
• Molecular Formula: C119H87F26N25O12S
• Molecular Weight: 2585.18 g/mol
• Exact Mass: 2583.63
• IUPAC Name: N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-cyano-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-fluorophenyl)benzamide;3-cyano-N-(3-fluorophenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(3-fluorophenyl)benzamide
• SMILES: CC(C)n1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-].CC(C)n1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2cccc(F)c2)cc1C#N.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2cccc(F)c2)cc1C#N.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2cccc(F)c2)cc1F.Cc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C(C)C)c([N+](=O)[O-])c2)c(F)c1F.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc3snnc3c2)cc1[N+](=O)[O-]
• InChI: InChI=1S/C21H17F5N4O3.C21H16F4N4O.C20H15F5N4O3.C20H14F4N4O.C19H14F5N3O.C18H11F3N6O3S/c1-10(2)29-15(9-17(28-29)21(24,25)26)13-6-5-12(8-16(13)30(32)33)20(31)27-14-7-4-11(3)18(22)19(14)23;1-12(2)29-18(10-19(28-29)21(23,24)25)17-7-6-13(8-14(17)11-26)20(30)27-16-5-3-4-15(22)9-16;1-10(2)28-15(9-17(27-28)20(23,24)25)12-7-6-11(8-16(12)29(31)32)19(30)26-18-13(21)4-3-5-14(18)22;1-2-28-17(10-18(27-28)20(22,23)24)16-7-6-12(8-13(16)11-25)19(29)26-15-5-3-4-14(21)9-15;1-2-27-16(10-17(26-27)19(22,23)24)14-7-6-11(8-15(14)21)18(28)25-13-5-3-4-12(20)9-13;1-26-13(8-16(24-26)18(19,20)21)11-4-2-9(6-14(11)27(29)30)17(28)22-10-3-5-15-12(7-10)23-25-31-15/h4-10H,1-3H3,(H,27,31);3-10,12H,1-2H3,(H,27,30);3-10H,1-2H3,(H,26,30);3-10H,2H2,1H3,(H,26,29);3-10H,2H2,1H3,(H,25,28);2-8H,1H3,(H,22,28)
• InChIKey: SPCUUOJYWHUITL-UHFFFAOYSA-N
• XLogP: 31.14
• TPSA: 484.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2585.18
LogP ≤ 5	31.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-cyano-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-fluorophenyl)benzamide;3-cyano-N-(3-fluorophenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(3-fluorophenyl)benzamide (CID 160897943) is N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-cyano-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-fluorophenyl)benzamide;3-cyano-N-(3-fluorophenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(3-fluorophenyl)benzamide.

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

The canonical SMILES for N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-cyano-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-fluorophenyl)benzamide;3-cyano-N-(3-fluorophenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(3-fluorophenyl)benzamide is CC(C)n1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-].CC(C)n1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2cccc(F)c2)cc1C#N.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2cccc(F)c2)cc1C#N.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2cccc(F)c2)cc1F.Cc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C(C)C)c([N+](=O)[O-])c2)c(F)c1F.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc3snnc3c2)cc1[N+](=O)[O-].

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

The InChIKey is SPCUUOJYWHUITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F5N4O3.C21H16F4N4O.C20H15F5N4O3.C20H14F4N4O.C19H14F5N3O.C18H11F3N6O3S/c1-10(2)29-15(9-17(28-29)21(24,25)26)13-6-5-12(8-16(13)30(32)33)20(31)27-14-7-4-11(3)18(22)19(14)23;1-12(2)29-18(10-19(28-29)21(23,24)25)17-7-6-13(8-14(17)11-26)20(30)27-16-5-3-4-15(22)9-16;1-10(2)28-15(9-17(27-28)20(23,24)25)12-7-6-11(8-16(12)29(31)32)19(30)26-18-13(21)4-3-5-14(18)22;1-2-28-17(10-18(27-28)20(22,23)24)16-7-6-12(8-13(16)11-25)19(29)26-15-5-3-4-14(21)9-15;1-2-27-16(10-17(26-27)19(22,23)24)14-7-6-11(8-15(14)21)18(28)25-13-5-3-4-12(20)9-13;1-26-13(8-16(24-26)18(19,20)21)11-4-2-9(6-14(11)27(29)30)17(28)22-10-3-5-15-12(7-10)23-25-31-15/h4-10H,1-3H3,(H,27,31);3-10,12H,1-2H3,(H,27,30);3-10H,1-2H3,(H,26,30);3-10H,2H2,1H3,(H,26,29);3-10H,2H2,1H3,(H,25,28);2-8H,1H3,(H,22,28).

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

N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-cyano-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-fluorophenyl)benzamide;3-cyano-N-(3-fluorophenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(3-fluorophenyl)benzamide has a molecular weight of 2585.18 g/mol, XLogP of 31.14, 26 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,2,3-benzothiadiazol-5-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-cyano-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-fluorophenyl)benzamide;3-cyano-N-(3-fluorophenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,6-difluorophenyl)-3-nitro-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluoro-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 160897943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).