N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

C₈₃H₉₅F₉N₂₄O₃ — CID 158918413

About N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide

N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 158918413) has the molecular formula C₈₃H₉₅F₉N₂₄O₃ and a molecular weight of 1647.82 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 158918413
• Molecular Formula: C₈₃H₉₅F₉N₂₄O₃
• Molecular Weight: 1647.82 g/mol
• Exact Mass: 1646.79
• IUPAC Name: N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N(C)CCN(C)C)c2C)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N3CCN(C)CC3)c2C)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(NCCN(C)C)c2C)cc1-n1cc(-c2cnn(C)c2C)nn1
• InChI: InChI=1S/C28H31F3N8O.C28H33F3N8O.C27H31F3N8O/c1-17-6-7-20(12-25(17)39-16-24(34-35-39)22-15-32-37(5)19(22)3)27(40)33-23-13-21(28(29,30)31)14-26(18(23)2)38-10-8-36(4)9-11-38;1-17-8-9-20(12-25(17)39-16-24(34-35-39)22-15-32-38(7)19(22)3)27(40)33-23-13-21(28(29,30)31)14-26(18(23)2)37(6)11-10-36(4)5;1-16-7-8-19(11-25(16)38-15-24(34-35-38)21-14-32-37(6)18(21)3)26(39)33-23-13-20(27(28,29)30)12-22(17(23)2)31-9-10-36(4)5/h6-7,12-16H,8-11H2,1-5H3,(H,33,40);8-9,12-16H,10-11H2,1-7H3,(H,33,40);7-8,11-15,31H,9-10H2,1-6H3,(H,33,39)
• InChIKey: JHNGWKWXVBTXPS-UHFFFAOYSA-N
• XLogP: 14.32
• TPSA: 261.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1647.82
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide (CID 158918413) is N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N(C)CCN(C)C)c2C)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N3CCN(C)CC3)c2C)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(NCCN(C)C)c2C)cc1-n1cc(-c2cnn(C)c2C)nn1.

What is the InChIKey of N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?

The InChIKey is JHNGWKWXVBTXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N8O.C28H33F3N8O.C27H31F3N8O/c1-17-6-7-20(12-25(17)39-16-24(34-35-39)22-15-32-37(5)19(22)3)27(40)33-23-13-21(28(29,30)31)14-26(18(23)2)38-10-8-36(4)9-11-38;1-17-8-9-20(12-25(17)39-16-24(34-35-39)22-15-32-38(7)19(22)3)27(40)33-23-13-21(28(29,30)31)14-26(18(23)2)37(6)11-10-36(4)5;1-16-7-8-19(11-25(16)38-15-24(34-35-38)21-14-32-37(6)18(21)3)26(39)33-23-13-20(27(28,29)30)12-22(17(23)2)31-9-10-36(4)5/h6-7,12-16H,8-11H2,1-5H3,(H,33,40);8-9,12-16H,10-11H2,1-7H3,(H,33,40);7-8,11-15,31H,9-10H2,1-6H3,(H,33,39).

What are the key properties of N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide?

N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1647.82 g/mol, XLogP of 14.32, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(dimethylamino)ethylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl-methylamino]-2-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 158918413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158918413 — identifiers, structure, computed properties (public domain)

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