1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid

C68H72Br2F3N21O9S5 — CID 158204282

About 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid

1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 158204282) has the molecular formula C68H72Br2F3N21O9S5 and a molecular weight of 1704.60 g/mol. Its IUPAC name is 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid
• PubChem CID: 158204282
• Molecular Formula: C68H72Br2F3N21O9S5
• Molecular Weight: 1704.60 g/mol
• Exact Mass: 1701.27
• IUPAC Name: 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid
• SMILES: CC(=O)c1sc(C)nc1-c1cnn(C)c1C(=O)CO.Cc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(Br)nc3C2)sc1C.Cc1nc(-c2cnn(C)c2C(=O)CO)sc1C1CC1.Cc1nc(-c2cnn(C)c2C(=O)O)sc1C.Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)CC1CCn2nc(Br)nc2C1
• InChI: InChI=1S/C17H19BrN6OS.C16H14BrF3N6OS.C13H15N3O2S.C12H13N3O3S.C10H11N3O2S/c1-9-10(2)26-16(20-9)12-8-19-23(3)15(12)13(25)6-11-4-5-24-14(7-11)21-17(18)22-24;1-25-13(9(6-21-25)14-22-11(7-28-14)16(18,19)20)10(27)4-8-2-3-26-12(5-8)23-15(17)24-26;1-7-12(8-3-4-8)19-13(15-7)9-5-14-16(2)11(9)10(18)6-17;1-6(17)12-10(14-7(2)19-12)8-4-13-15(3)11(8)9(18)5-16;1-5-6(2)16-9(12-5)7-4-11-13(3)8(7)10(14)15/h8,11H,4-7H2,1-3H3;6-8H,2-5H2,1H3;5,8,17H,3-4,6H2,1-2H3;4,16H,5H2,1-3H3;4H,1-3H3,(H,14,15)
• InChIKey: GBHPFSVUEONAQN-UHFFFAOYSA-N
• XLogP: 12.09
• TPSA: 378.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1704.60
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid?

The IUPAC name of 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid (CID 158204282) is 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid.

What is the SMILES notation for 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid?

The canonical SMILES for 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid is CC(=O)c1sc(C)nc1-c1cnn(C)c1C(=O)CO.Cc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(Br)nc3C2)sc1C.Cc1nc(-c2cnn(C)c2C(=O)CO)sc1C1CC1.Cc1nc(-c2cnn(C)c2C(=O)O)sc1C.Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)CC1CCn2nc(Br)nc2C1.

What is the InChIKey of 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid?

The InChIKey is GBHPFSVUEONAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN6OS.C16H14BrF3N6OS.C13H15N3O2S.C12H13N3O3S.C10H11N3O2S/c1-9-10(2)26-16(20-9)12-8-19-23(3)15(12)13(25)6-11-4-5-24-14(7-11)21-17(18)22-24;1-25-13(9(6-21-25)14-22-11(7-28-14)16(18,19)20)10(27)4-8-2-3-26-12(5-8)23-15(17)24-26;1-7-12(8-3-4-8)19-13(15-7)9-5-14-16(2)11(9)10(18)6-17;1-6(17)12-10(14-7(2)19-12)8-4-13-15(3)11(8)9(18)5-16;1-5-6(2)16-9(12-5)7-4-11-13(3)8(7)10(14)15/h8,11H,4-7H2,1-3H3;6-8H,2-5H2,1H3;5,8,17H,3-4,6H2,1-2H3;4,16H,5H2,1-3H3;4H,1-3H3,(H,14,15).

What are the key properties of 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid?

1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 1704.60 g/mol, XLogP of 12.09, 18 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 158204282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).