3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide

C140H145F15N40O6 — CID 158528604

About 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide

3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 158528604) has the molecular formula C140H145F15N40O6 and a molecular weight of 2768.94 g/mol. Its IUPAC name is 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 158528604
• Molecular Formula: C140H145F15N40O6
• Molecular Weight: 2768.94 g/mol
• Exact Mass: 2767.20
• IUPAC Name: 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide
• SMILES: C/C(=N\c1cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc(C(F)(F)F)c1)N1CCCCC1.C/C(=N\c1cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc(C(F)(F)F)c1)N1CCOCC1.CCN1CCC/C1=N\c1cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2cc(/N=C3\CCCCN3C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(/N=C3\CCCN3C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1
• InChI: InChI=1S/C29H31F3N8O.C28H29F3N8O2.2C28H29F3N8O.C27H27F3N8O/c1-18-8-9-21(12-27(18)40-17-26(36-37-40)25-16-33-38(4)19(25)2)28(41)35-24-14-22(29(30,31)32)13-23(15-24)34-20(3)39-10-6-5-7-11-39;1-17-5-6-20(11-26(17)39-16-25(35-36-39)24-15-32-37(4)18(24)2)27(40)34-23-13-21(28(29,30)31)12-22(14-23)33-19(3)38-7-9-41-10-8-38;1-17-8-9-19(11-25(17)39-16-24(35-36-39)23-15-32-38(4)18(23)2)27(40)34-22-13-20(28(29,30)31)12-21(14-22)33-26-7-5-6-10-37(26)3;1-5-38-10-6-7-26(38)33-21-12-20(28(29,30)31)13-22(14-21)34-27(40)19-9-8-17(2)25(11-19)39-16-24(35-36-39)23-15-32-37(4)18(23)3;1-16-7-8-18(10-24(16)38-15-23(34-35-38)22-14-31-37(4)17(22)2)26(39)33-21-12-19(27(28,29)30)11-20(13-21)32-25-6-5-9-36(25)3/h8-9,12-17H,5-7,10-11H2,1-4H3,(H,35,41);5-6,11-16H,7-10H2,1-4H3,(H,34,40);2*8-9,11-16H,5-7,10H2,1-4H3,(H,34,40);7-8,10-15H,5-6,9H2,1-4H3,(H,33,39)/b34-20+;33-19+;2*33-26+;32-25+
• InChIKey: HNBXOOYSUNWGAW-NMRDELNNSA-N
• XLogP: 27.74
• TPSA: 475.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2768.94
LogP ≤ 5	27.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide (CID 158528604) is 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide is C/C(=N\c1cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc(C(F)(F)F)c1)N1CCCCC1.C/C(=N\c1cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc(C(F)(F)F)c1)N1CCOCC1.CCN1CCC/C1=N\c1cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2cc(/N=C3\CCCCN3C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(/N=C3\CCCN3C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.

What is the InChIKey of 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide?

The InChIKey is HNBXOOYSUNWGAW-NMRDELNNSA-N. The full InChI is InChI=1S/C29H31F3N8O.C28H29F3N8O2.2C28H29F3N8O.C27H27F3N8O/c1-18-8-9-21(12-27(18)40-17-26(36-37-40)25-16-33-38(4)19(25)2)28(41)35-24-14-22(29(30,31)32)13-23(15-24)34-20(3)39-10-6-5-7-11-39;1-17-5-6-20(11-26(17)39-16-25(35-36-39)24-15-32-37(4)18(24)2)27(40)34-23-13-21(28(29,30)31)12-22(14-23)33-19(3)38-7-9-41-10-8-38;1-17-8-9-19(11-25(17)39-16-24(35-36-39)23-15-32-38(4)18(23)2)27(40)34-22-13-20(28(29,30)31)12-21(14-22)33-26-7-5-6-10-37(26)3;1-5-38-10-6-7-26(38)33-21-12-20(28(29,30)31)13-22(14-21)34-27(40)19-9-8-17(2)25(11-19)39-16-24(35-36-39)23-15-32-37(4)18(23)3;1-16-7-8-18(10-24(16)38-15-23(34-35-38)22-14-31-37(4)17(22)2)26(39)33-21-12-19(27(28,29)30)11-20(13-21)32-25-6-5-9-36(25)3/h8-9,12-17H,5-7,10-11H2,1-4H3,(H,35,41);5-6,11-16H,7-10H2,1-4H3,(H,34,40);2*8-9,11-16H,5-7,10H2,1-4H3,(H,34,40);7-8,10-15H,5-6,9H2,1-4H3,(H,33,39)/b34-20+;33-19+;2*33-26+;32-25+.

What are the key properties of 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide?

3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2768.94 g/mol, XLogP of 27.74, 26 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(1-ethylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-morpholin-4-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(1-piperidin-1-ylethylideneamino)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 158528604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).