4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide

C133H135Cl5F15N35O7 — CID 158724013

About 4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide

4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 158724013) has the molecular formula C133H135Cl5F15N35O7 and a molecular weight of 2798.02 g/mol. Its IUPAC name is 4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 158724013
• Molecular Formula: C133H135Cl5F15N35O7
• Molecular Weight: 2798.02 g/mol
• Exact Mass: 2793.95
• IUPAC Name: 4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
• SMILES: COc1c(CN2CCN(C)CC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CCC(C)C)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CCC5CC5)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN(C)CCO)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCCN(C)CC5)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C
• InChI: InChI=1S/C28H30ClF3N8O2.C28H30ClF3N8O.C26H24ClF3N6O.C26H26ClF3N6O.C25H25ClF3N7O2/c1-17-21(14-33-38(17)3)24-16-40(36-35-24)25-12-18(5-6-22(25)29)27(41)34-23-13-20(28(30,31)32)11-19(26(23)42-4)15-39-9-7-37(2)8-10-39;1-18-23(15-33-38(18)3)25-17-40(36-35-25)26-13-20(5-6-24(26)29)27(41)34-22-12-19(11-21(14-22)28(30,31)32)16-39-8-4-7-37(2)9-10-39;1-15-21(13-31-35(15)2)23-14-36(34-33-23)24-11-18(7-8-22(24)27)25(37)32-20-10-17(6-5-16-3-4-16)9-19(12-20)26(28,29)30;1-15(2)5-6-17-9-19(26(28,29)30)12-20(10-17)32-25(37)18-7-8-22(27)24(11-18)36-14-23(33-34-36)21-13-31-35(4)16(21)3;1-15-20(12-30-35(15)3)22-14-36(33-32-22)23-10-17(4-5-21(23)26)24(38)31-19-9-16(13-34(2)6-7-37)8-18(11-19)25(27,28)29/h5-6,11-14,16H,7-10,15H2,1-4H3,(H,34,41);5-6,11-15,17H,4,7-10,16H2,1-3H3,(H,34,41);7-14,16H,3-6H2,1-2H3,(H,32,37);7-15H,5-6H2,1-4H3,(H,32,37);4-5,8-12,14,37H,6-7,13H2,1-3H3,(H,31,38)
• InChIKey: IKGQSSYDLKCZLO-UHFFFAOYSA-N
• XLogP: 26.75
• TPSA: 433.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2798.02
LogP ≤ 5	26.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide (CID 158724013) is 4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide is COc1c(CN2CCN(C)CC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CCC(C)C)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CCC5CC5)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN(C)CCO)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.Cc1c(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCCN(C)CC5)cc(C(F)(F)F)c4)ccc3Cl)nn2)cnn1C.

What is the InChIKey of 4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide?

The InChIKey is IKGQSSYDLKCZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClF3N8O2.C28H30ClF3N8O.C26H24ClF3N6O.C26H26ClF3N6O.C25H25ClF3N7O2/c1-17-21(14-33-38(17)3)24-16-40(36-35-24)25-12-18(5-6-22(25)29)27(41)34-23-13-20(28(30,31)32)11-19(26(23)42-4)15-39-9-7-37(2)8-10-39;1-18-23(15-33-38(18)3)25-17-40(36-35-25)26-13-20(5-6-24(26)29)27(41)34-22-12-19(11-21(14-22)28(30,31)32)16-39-8-4-7-37(2)9-10-39;1-15-21(13-31-35(15)2)23-14-36(34-33-23)24-11-18(7-8-22(24)27)25(37)32-20-10-17(6-5-16-3-4-16)9-19(12-20)26(28,29)30;1-15(2)5-6-17-9-19(26(28,29)30)12-20(10-17)32-25(37)18-7-8-22(27)24(11-18)36-14-23(33-34-36)21-13-31-35(4)16(21)3;1-15-20(12-30-35(15)3)22-14-36(33-32-22)23-10-17(4-5-21(23)26)24(38)31-19-9-16(13-34(2)6-7-37)8-18(11-19)25(27,28)29/h5-6,11-14,16H,7-10,15H2,1-4H3,(H,34,41);5-6,11-15,17H,4,7-10,16H2,1-3H3,(H,34,41);7-14,16H,3-6H2,1-2H3,(H,32,37);7-15H,5-6H2,1-4H3,(H,32,37);4-5,8-12,14,37H,6-7,13H2,1-3H3,(H,31,38).

What are the key properties of 4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide?

4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2798.02 g/mol, XLogP of 26.75, 35 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[3-(2-cyclopropylethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 158724013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).