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

C80H74F12N16O6 — CID 159093488

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

3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4,5-dimethylphenyl)-3-nitrobenzamide (PubChem CID 159093488) has the molecular formula C80H74F12N16O6 and a molecular weight of 1583.55 g/mol. Its IUPAC name is 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4,5-dimethylphenyl)-3-nitrobenzamide.

Molecular Properties

• Compound Name: 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4,5-dimethylphenyl)-3-nitrobenzamide
• PubChem CID: 159093488
• Molecular Formula: C80H74F12N16O6
• Molecular Weight: 1583.55 g/mol
• Exact Mass: 1582.58
• IUPAC Name: 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4,5-dimethylphenyl)-3-nitrobenzamide
• SMILES: CCc1cc(-c2ccc(C(=O)Nc3c(F)cccc3F)cc2N)n(CC)n1.CCc1cc(-c2ccc(C(=O)Nc3cc(C)c(C)c(F)c3F)cc2[N+](=O)[O-])n(CC)n1.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2cccc(C)c2)cc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1N
• InChI: InChI=1S/C22H22F2N4O3.C20H19F3N4O.C20H20F2N4O.C18H13F5N4O/c1-5-15-11-18(27(6-2)26-15)16-8-7-14(10-19(16)28(30)31)22(29)25-17-9-12(3)13(4)20(23)21(17)24;1-3-27-17(11-18(26-27)20(21,22)23)15-8-7-13(10-16(15)24)19(28)25-14-6-4-5-12(2)9-14;1-3-13-11-18(26(4-2)25-13)14-9-8-12(10-17(14)23)20(27)24-19-15(21)6-5-7-16(19)22;1-27-14(8-15(26-27)18(21,22)23)10-6-5-9(7-13(10)24)17(28)25-16-11(19)3-2-4-12(16)20/h7-11H,5-6H2,1-4H3,(H,25,29);4-11H,3,24H2,1-2H3,(H,25,28);5-11H,3-4,23H2,1-2H3,(H,24,27);2-8H,24H2,1H3,(H,25,28)
• InChIKey: KCJCIEPMQANQTL-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 308.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1583.55
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

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

The IUPAC name of 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4,5-dimethylphenyl)-3-nitrobenzamide (CID 159093488) is 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4,5-dimethylphenyl)-3-nitrobenzamide.

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

The canonical SMILES for 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4,5-dimethylphenyl)-3-nitrobenzamide is CCc1cc(-c2ccc(C(=O)Nc3c(F)cccc3F)cc2N)n(CC)n1.CCc1cc(-c2ccc(C(=O)Nc3cc(C)c(C)c(F)c3F)cc2[N+](=O)[O-])n(CC)n1.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2cccc(C)c2)cc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1N.

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

The InChIKey is KCJCIEPMQANQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3.C20H19F3N4O.C20H20F2N4O.C18H13F5N4O/c1-5-15-11-18(27(6-2)26-15)16-8-7-14(10-19(16)28(30)31)22(29)25-17-9-12(3)13(4)20(23)21(17)24;1-3-27-17(11-18(26-27)20(21,22)23)15-8-7-13(10-16(15)24)19(28)25-14-6-4-5-12(2)9-14;1-3-13-11-18(26(4-2)25-13)14-9-8-12(10-17(14)23)20(27)24-19-15(21)6-5-7-16(19)22;1-27-14(8-15(26-27)18(21,22)23)10-6-5-9(7-13(10)24)17(28)25-16-11(19)3-2-4-12(16)20/h7-11H,5-6H2,1-4H3,(H,25,29);4-11H,3,24H2,1-2H3,(H,25,28);5-11H,3-4,23H2,1-2H3,(H,24,27);2-8H,24H2,1H3,(H,25,28).

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

3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4,5-dimethylphenyl)-3-nitrobenzamide has a molecular weight of 1583.55 g/mol, XLogP of 18.38, 18 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4,5-dimethylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 159093488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).