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

C98H77F20N19O9 — CID 159547006

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

3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-fluoro-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 159547006) has the molecular formula C98H77F20N19O9 and a molecular weight of 2044.78 g/mol. Its IUPAC name is 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-fluoro-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-fluoro-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
• PubChem CID: 159547006
• Molecular Formula: C98H77F20N19O9
• Molecular Weight: 2044.78 g/mol
• Exact Mass: 2043.58
• IUPAC Name: 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-fluoro-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
• SMILES: CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccccc2C)cc1N.Cc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c([N+](=O)[O-])c2)c(F)c1F.Cc1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C(C)C)c(C#N)c1.Cc1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-]
• InChI: InChI=1S/C22H19F3N4O.C20H19F3N4O.C19H13F5N4O3.C19H15F4N3O.C18H11F5N4O3/c1-13(2)29-19(11-20(28-29)22(23,24)25)17-9-8-15(10-16(17)12-26)21(30)27-18-7-5-4-6-14(18)3;1-3-27-17(11-18(26-27)20(21,22)23)14-9-8-13(10-15(14)24)19(28)25-16-7-5-4-6-12(16)2;1-9-3-6-12(17(21)16(9)20)25-18(29)10-4-5-11(14(7-10)28(30)31)13-8-15(19(22,23)24)26-27(13)2;1-11-5-3-4-6-15(11)24-18(27)12-7-8-13(14(20)9-12)16-10-17(19(21,22)23)25-26(16)2;1-26-13(8-15(25-26)18(21,22)23)10-6-5-9(7-14(10)27(29)30)17(28)24-16-11(19)3-2-4-12(16)20/h4-11,13H,1-3H3,(H,27,30);4-11H,3,24H2,1-2H3,(H,25,28);3-8H,1-2H3,(H,25,29);3-10H,1-2H3,(H,24,27);2-8H,1H3,(H,24,28)
• InChIKey: MEXRSQGNLJVDDP-UHFFFAOYSA-N
• XLogP: 24.52
• TPSA: 370.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2044.78
LogP ≤ 5	24.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-fluoro-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?

The IUPAC name of 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-fluoro-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 159547006) is 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-fluoro-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

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

The canonical SMILES for 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-fluoro-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccccc2C)cc1N.Cc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c([N+](=O)[O-])c2)c(F)c1F.Cc1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C(C)C)c(C#N)c1.Cc1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-].

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

The InChIKey is MEXRSQGNLJVDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O.C20H19F3N4O.C19H13F5N4O3.C19H15F4N3O.C18H11F5N4O3/c1-13(2)29-19(11-20(28-29)22(23,24)25)17-9-8-15(10-16(17)12-26)21(30)27-18-7-5-4-6-14(18)3;1-3-27-17(11-18(26-27)20(21,22)23)14-9-8-13(10-15(14)24)19(28)25-16-7-5-4-6-12(16)2;1-9-3-6-12(17(21)16(9)20)25-18(29)10-4-5-11(14(7-10)28(30)31)13-8-15(19(22,23)24)26-27(13)2;1-11-5-3-4-6-15(11)24-18(27)12-7-8-13(14(20)9-12)16-10-17(19(21,22)23)25-26(16)2;1-26-13(8-15(25-26)18(21,22)23)10-6-5-9(7-14(10)27(29)30)17(28)24-16-11(19)3-2-4-12(16)20/h4-11,13H,1-3H3,(H,27,30);4-11H,3,24H2,1-2H3,(H,25,28);3-8H,1-2H3,(H,25,29);3-10H,1-2H3,(H,24,27);2-8H,1H3,(H,24,28).

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

3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-fluoro-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 2044.78 g/mol, XLogP of 24.52, 19 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide;3-cyano-N-(2-methylphenyl)-4-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-(2,3-difluoro-4-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-nitrobenzamide;3-fluoro-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 159547006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).