N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide

C124H126F15N35O11 — CID 157147523

About N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide

N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 157147523) has the molecular formula C124H126F15N35O11 and a molecular weight of 2567.58 g/mol. Its IUPAC name is N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 157147523
• Molecular Formula: C124H126F15N35O11
• Molecular Weight: 2567.58 g/mol
• Exact Mass: 2566.01
• IUPAC Name: N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
• SMILES: CCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cnn(C)c3C)nn2)c1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2NCCO)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2NC[C@@H](O)CO)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2NC[C@H](O)CO)cc1-n1cc(-c2cnn(C)c2C)nn1
• InChI: InChI=1S/C26H26F3N7O2.2C25H26F3N7O3.C24H24F3N7O2.C24H24F3N7O/c1-16-4-5-18(12-24(16)36-15-22(32-33-36)20-14-30-34(3)17(20)2)25(37)31-21-13-19(26(27,28)29)6-7-23(21)35-8-10-38-11-9-35;2*1-14-4-5-16(8-23(14)35-12-22(32-33-35)19-11-30-34(3)15(19)2)24(38)31-21-9-17(25(26,27)28)6-7-20(21)29-10-18(37)13-36;1-14-4-5-16(10-22(14)34-13-21(31-32-34)18-12-29-33(3)15(18)2)23(36)30-20-11-17(24(25,26)27)6-7-19(20)28-8-9-35;1-5-28-19-9-8-17(24(25,26)27)11-20(19)30-23(35)16-7-6-14(2)22(10-16)34-13-21(31-32-34)18-12-29-33(4)15(18)3/h4-7,12-15H,8-11H2,1-3H3,(H,31,37);2*4-9,11-12,18,29,36-37H,10,13H2,1-3H3,(H,31,38);4-7,10-13,28,35H,8-9H2,1-3H3,(H,30,36);6-13,28H,5H2,1-4H3,(H,30,35)/t;2*18-;;/m.10../s1
• InChIKey: AKWJEIFCYGMZQC-BNDAOIEBSA-N
• XLogP: 19.98
• TPSA: 549.89 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 41
• Rotatable Bonds: 34
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2567.58
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (CID 157147523) is N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is CCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cnn(C)c3C)nn2)c1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2NCCO)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2NC[C@@H](O)CO)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2NC[C@H](O)CO)cc1-n1cc(-c2cnn(C)c2C)nn1.

What is the InChIKey of N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?

The InChIKey is AKWJEIFCYGMZQC-BNDAOIEBSA-N. The full InChI is InChI=1S/C26H26F3N7O2.2C25H26F3N7O3.C24H24F3N7O2.C24H24F3N7O/c1-16-4-5-18(12-24(16)36-15-22(32-33-36)20-14-30-34(3)17(20)2)25(37)31-21-13-19(26(27,28)29)6-7-23(21)35-8-10-38-11-9-35;2*1-14-4-5-16(8-23(14)35-12-22(32-33-35)19-11-30-34(3)15(19)2)24(38)31-21-9-17(25(26,27)28)6-7-20(21)29-10-18(37)13-36;1-14-4-5-16(10-22(14)34-13-21(31-32-34)18-12-29-33(3)15(18)2)23(36)30-20-11-17(24(25,26)27)6-7-19(20)28-8-9-35;1-5-28-19-9-8-17(24(25,26)27)11-20(19)30-23(35)16-7-6-14(2)22(10-16)34-13-21(31-32-34)18-12-29-33(4)15(18)3/h4-7,12-15H,8-11H2,1-3H3,(H,31,37);2*4-9,11-12,18,29,36-37H,10,13H2,1-3H3,(H,31,38);4-7,10-13,28,35H,8-9H2,1-3H3,(H,30,36);6-13,28H,5H2,1-4H3,(H,30,35)/t;2*18-;;/m.10../s1.

What are the key properties of N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?

N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2567.58 g/mol, XLogP of 19.98, 34 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2S)-2,3-dihydroxypropyl]amino]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[2-[[(2R)-2,3-dihydroxypropyl]amino]-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]-N-[2-(ethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 157147523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).