N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide

C137H146F15N35O11 — CID 159863229

About N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide

N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 159863229) has the molecular formula C137H146F15N35O11 and a molecular weight of 2743.88 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 159863229
• Molecular Formula: C137H146F15N35O11
• Molecular Weight: 2743.88 g/mol
• Exact Mass: 2742.17
• IUPAC Name: N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2cc(OCCCN(C)C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(OCCCN3CCOCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(OCCN3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cncnc2)nn1.Cc1ccc(C(=O)Nc2cc(OCCN3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1
• InChI: InChI=1S/C29H32F3N7O3.C28H30F3N7O2.C27H26F3N7O2.C27H30F3N7O2.C26H28F3N7O2/c1-19-5-6-21(13-27(19)39-18-26(35-36-39)25-17-33-37(3)20(25)2)28(40)34-23-14-22(29(30,31)32)15-24(16-23)42-10-4-7-38-8-11-41-12-9-38;1-18-6-7-20(12-26(18)38-17-25(34-35-38)24-16-32-36(3)19(24)2)27(39)33-22-13-21(28(29,30)31)14-23(15-22)40-11-10-37-8-4-5-9-37;1-18-4-5-19(10-25(18)37-16-24(34-35-37)20-14-31-17-32-15-20)26(38)33-22-11-21(27(28,29)30)12-23(13-22)39-9-8-36-6-2-3-7-36;1-17-7-8-19(11-25(17)37-16-24(33-34-37)23-15-31-36(5)18(23)2)26(38)32-21-12-20(27(28,29)30)13-22(14-21)39-10-6-9-35(3)4;1-16-6-7-18(10-24(16)36-15-23(32-33-36)22-14-30-35(5)17(22)2)25(37)31-20-11-19(26(27,28)29)12-21(13-20)38-9-8-34(3)4/h5-6,13-18H,4,7-12H2,1-3H3,(H,34,40);6-7,12-17H,4-5,8-11H2,1-3H3,(H,33,39);4-5,10-17H,2-3,6-9H2,1H3,(H,33,38);7-8,11-16H,6,9-10H2,1-5H3,(H,32,38);6-7,10-15H,8-9H2,1-5H3,(H,31,37)
• InChIKey: NRKIKDIZZOTWAS-UHFFFAOYSA-N
• XLogP: 23.85
• TPSA: 467.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 42
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2743.88
LogP ≤ 5	23.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide (CID 159863229) is N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cc(OCCCN(C)C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(OCCCN3CCOCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(OCCN(C)C)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(OCCN3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cncnc2)nn1.Cc1ccc(C(=O)Nc2cc(OCCN3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.

What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide?

The InChIKey is NRKIKDIZZOTWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N7O3.C28H30F3N7O2.C27H26F3N7O2.C27H30F3N7O2.C26H28F3N7O2/c1-19-5-6-21(13-27(19)39-18-26(35-36-39)25-17-33-37(3)20(25)2)28(40)34-23-14-22(29(30,31)32)15-24(16-23)42-10-4-7-38-8-11-41-12-9-38;1-18-6-7-20(12-26(18)38-17-25(34-35-38)24-16-32-36(3)19(24)2)27(39)33-22-13-21(28(29,30)31)14-23(15-22)40-11-10-37-8-4-5-9-37;1-18-4-5-19(10-25(18)37-16-24(34-35-37)20-14-31-17-32-15-20)26(38)33-22-11-21(27(28,29)30)12-23(13-22)39-9-8-36-6-2-3-7-36;1-17-7-8-19(11-25(17)37-16-24(33-34-37)23-15-31-36(5)18(23)2)26(38)32-21-12-20(27(28,29)30)13-22(14-21)39-10-6-9-35(3)4;1-16-6-7-18(10-24(16)36-15-23(32-33-36)22-14-30-35(5)17(22)2)25(37)31-20-11-19(26(27,28)29)12-21(13-20)38-9-8-34(3)4/h5-6,13-18H,4,7-12H2,1-3H3,(H,34,40);6-7,12-17H,4-5,8-11H2,1-3H3,(H,33,39);4-5,10-17H,2-3,6-9H2,1H3,(H,33,38);7-8,11-16H,6,9-10H2,1-5H3,(H,32,38);6-7,10-15H,8-9H2,1-5H3,(H,31,37).

What are the key properties of N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide?

N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2743.88 g/mol, XLogP of 23.85, 42 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-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-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 159863229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).