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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide

C96H80F22N20O5 — CID 160906830

About 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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide

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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide (PubChem CID 160906830) has the molecular formula C96H80F22N20O5 and a molecular weight of 2011.79 g/mol. Its IUPAC name is 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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide.

Molecular Properties

• Compound Name: 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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide
• PubChem CID: 160906830
• Molecular Formula: C96H80F22N20O5
• Molecular Weight: 2011.79 g/mol
• Exact Mass: 2010.63
• IUPAC Name: 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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide
• SMILES: CCc1cc(-c2ccc(C(=O)Nc3ccc(C)c(F)c3F)cc2N)n(CC)n1.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)cc1F.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc(C)c(F)c2F)cc1N.Cc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)c2)c(F)c1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(F)c2)cc1N
• InChI: InChI=1S/C21H22F2N4O.C20H17F5N4O.C19H15F5N4O.C18H12F6N4O.C18H14F4N4O/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;1-3-29-15(9-16(28-29)20(23,24)25)12-6-5-11(8-13(12)26)19(30)27-14-7-4-10(2)17(21)18(14)22;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;1-2-28-14(6-15(27-28)18(22,23)24)10-4-3-9(5-11(10)19)17(29)26-16-12(20)7-25-8-13(16)21;1-26-15(9-16(25-26)18(20,21)22)13-6-5-12(8-14(13)23)24-17(27)10-3-2-4-11(19)7-10/h6-11H,4-5,24H2,1-3H3,(H,25,28);4-9H,3,26H2,1-2H3,(H,27,30);3-8H,25H2,1-2H3,(H,26,29);3-8H,2H2,1H3,(H,25,26,29);2-9H,23H2,1H3,(H,24,27)
• InChIKey: SQGIHPDYPARGNY-UHFFFAOYSA-N
• XLogP: 22.82
• TPSA: 351.57 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2011.79
LogP ≤ 5	22.82
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide?

The IUPAC name of 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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide (CID 160906830) is 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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide.

What is the SMILES notation for 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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide?

The canonical SMILES for 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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide is CCc1cc(-c2ccc(C(=O)Nc3ccc(C)c(F)c3F)cc2N)n(CC)n1.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)cc1F.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc(C)c(F)c2F)cc1N.Cc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)c2)c(F)c1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(F)c2)cc1N.

What is the InChIKey of 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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide?

The InChIKey is SQGIHPDYPARGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O.C20H17F5N4O.C19H15F5N4O.C18H12F6N4O.C18H14F4N4O/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;1-3-29-15(9-16(28-29)20(23,24)25)12-6-5-11(8-13(12)26)19(30)27-14-7-4-10(2)17(21)18(14)22;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;1-2-28-14(6-15(27-28)18(22,23)24)10-4-3-9(5-11(10)19)17(29)26-16-12(20)7-25-8-13(16)21;1-26-15(9-16(25-26)18(20,21)22)13-6-5-12(8-14(13)23)24-17(27)10-3-2-4-11(19)7-10/h6-11H,4-5,24H2,1-3H3,(H,25,28);4-9H,3,26H2,1-2H3,(H,27,30);3-8H,25H2,1-2H3,(H,26,29);3-8H,2H2,1H3,(H,25,26,29);2-9H,23H2,1H3,(H,24,27).

What are the key properties of 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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide?

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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide has a molecular weight of 2011.79 g/mol, XLogP of 22.82, 19 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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-ethyl-3-(trifluoromethyl)pyrazol-5-yl]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]-3-fluorobenzamide;N-(3,5-difluoro-4-pyridinyl)-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-fluorobenzamide is sourced from PubChem (CID 160906830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).