N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide

C126H109F9N32O6 — CID 159033660

About N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide

N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide (PubChem CID 159033660) has the molecular formula C126H109F9N32O6 and a molecular weight of 2338.46 g/mol. Its IUPAC name is N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide
• PubChem CID: 159033660
• Molecular Formula: C126H109F9N32O6
• Molecular Weight: 2338.46 g/mol
• Exact Mass: 2336.91
• IUPAC Name: N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide
• SMILES: CC(C)(C#N)c1cccc(NC(=O)c2ccc(C(F)(F)F)c(-n3cc(-c4cccnc4)nn3)c2)c1.COc1cncc(-c2cn(-c3cc(C(=O)Nc4cccc(C(C)(C)C#N)c4)ccc3C(F)(F)F)nn2)c1.Cc1c(-c2cn(-c3cc(C(=O)Nc4cccc(C(C)(C)C#N)c4)ccc3C(F)(F)F)nn2)cnn1C.Cc1ccc(C(=O)Nc2cccc(C(C)(C)C#N)c2)cc1-n1cc(-c2cccnc2)nn1.Cc1ccc(C(=O)Nc2cccc(C(C)(C)C#N)c2)cc1-n1cc(-c2cnn(C)c2C)nn1
• InChI: InChI=1S/C26H21F3N6O2.C25H22F3N7O.C25H19F3N6O.C25H25N7O.C25H22N6O/c1-25(2,15-30)18-5-4-6-19(11-18)32-24(36)16-7-8-21(26(27,28)29)23(10-16)35-14-22(33-34-35)17-9-20(37-3)13-31-12-17;1-15-19(12-30-34(15)4)21-13-35(33-32-21)22-10-16(8-9-20(22)25(26,27)28)23(36)31-18-7-5-6-17(11-18)24(2,3)14-29;1-24(2,15-29)18-6-3-7-19(12-18)31-23(35)16-8-9-20(25(26,27)28)22(11-16)34-14-21(32-33-34)17-5-4-10-30-13-17;1-16-9-10-18(24(33)28-20-8-6-7-19(12-20)25(3,4)15-26)11-23(16)32-14-22(29-30-32)21-13-27-31(5)17(21)2;1-17-9-10-18(24(32)28-21-8-4-7-20(13-21)25(2,3)16-26)12-23(17)31-15-22(29-30-31)19-6-5-11-27-14-19/h4-14H,1-3H3,(H,32,36);5-13H,1-4H3,(H,31,36);3-14H,1-2H3,(H,31,35);6-14H,1-5H3,(H,28,33);4-15H,1-3H3,(H,28,32)
• InChIKey: JVEQDHYDEGVVFG-UHFFFAOYSA-N
• XLogP: 24.89
• TPSA: 501.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2338.46
LogP ≤ 5	24.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide (CID 159033660) is N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide is CC(C)(C#N)c1cccc(NC(=O)c2ccc(C(F)(F)F)c(-n3cc(-c4cccnc4)nn3)c2)c1.COc1cncc(-c2cn(-c3cc(C(=O)Nc4cccc(C(C)(C)C#N)c4)ccc3C(F)(F)F)nn2)c1.Cc1c(-c2cn(-c3cc(C(=O)Nc4cccc(C(C)(C)C#N)c4)ccc3C(F)(F)F)nn2)cnn1C.Cc1ccc(C(=O)Nc2cccc(C(C)(C)C#N)c2)cc1-n1cc(-c2cccnc2)nn1.Cc1ccc(C(=O)Nc2cccc(C(C)(C)C#N)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.

What is the InChIKey of N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide?

The InChIKey is JVEQDHYDEGVVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O2.C25H22F3N7O.C25H19F3N6O.C25H25N7O.C25H22N6O/c1-25(2,15-30)18-5-4-6-19(11-18)32-24(36)16-7-8-21(26(27,28)29)23(10-16)35-14-22(33-34-35)17-9-20(37-3)13-31-12-17;1-15-19(12-30-34(15)4)21-13-35(33-32-21)22-10-16(8-9-20(22)25(26,27)28)23(36)31-18-7-5-6-17(11-18)24(2,3)14-29;1-24(2,15-29)18-6-3-7-19(12-18)31-23(35)16-8-9-20(25(26,27)28)22(11-16)34-14-21(32-33-34)17-5-4-10-30-13-17;1-16-9-10-18(24(33)28-20-8-6-7-19(12-20)25(3,4)15-26)11-23(16)32-14-22(29-30-32)21-13-27-31(5)17(21)2;1-17-9-10-18(24(32)28-21-8-4-7-20(13-21)25(2,3)16-26)12-23(17)31-15-22(29-30-31)19-6-5-11-27-14-19/h4-14H,1-3H3,(H,32,36);5-13H,1-4H3,(H,31,36);3-14H,1-2H3,(H,31,35);6-14H,1-5H3,(H,28,33);4-15H,1-3H3,(H,28,32).

What are the key properties of N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide?

N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 2338.46 g/mol, XLogP of 24.89, 26 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-(trifluoromethyl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 159033660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).