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

C66H66BrF2N19O9S5 — CID 158896110

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

1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (PubChem CID 158896110) has the molecular formula C66H66BrF2N19O9S5 and a molecular weight of 1547.61 g/mol. Its IUPAC name is 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
• PubChem CID: 158896110
• Molecular Formula: C66H66BrF2N19O9S5
• Molecular Weight: 1547.61 g/mol
• Exact Mass: 1545.30
• IUPAC Name: 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
• SMILES: CCc1sc(-c2cnn(C)c2C(=O)CO)nc1C.Cc1csc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)n1.Cc1nc(-c2cnn(C)c2C(=O)CO)sc1Br.Cn1ncc(-c2nc(C(F)F)c(C3CC3)s2)c1C(=O)CO.[C-]#[N+]c1csc(-c2cnn(C)c2C(=O)O)n1
• InChI: InChI=1S/C22H22N6OS.C13H13F2N3O2S.C12H15N3O2S.C10H10BrN3O2S.C9H6N4O2S/c1-14-13-30-22(24-14)17-12-23-27(2)20(17)18(29)10-15-8-9-28-19(11-15)25-21(26-28)16-6-4-3-5-7-16;1-18-10(8(20)5-19)7(4-16-18)13-17-9(12(14)15)11(21-13)6-2-3-6;1-4-10-7(2)14-12(18-10)8-5-13-15(3)11(8)9(17)6-16;1-5-9(11)17-10(13-5)6-3-12-14(2)8(6)7(16)4-15;1-10-6-4-16-8(12-6)5-3-11-13(2)7(5)9(14)15/h3-7,12-13,15H,8-11H2,1-2H3;4,6,12,19H,2-3,5H2,1H3;5,16H,4,6H2,1-3H3;3,15H,4H2,1-2H3;3-4H,2H3,(H,14,15)
• InChIKey: JEVUMGKCRJULBT-UHFFFAOYSA-N
• XLogP: 11.65
• TPSA: 354.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1547.61
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (CID 158896110) is 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.

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

The canonical SMILES for 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is CCc1sc(-c2cnn(C)c2C(=O)CO)nc1C.Cc1csc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)n1.Cc1nc(-c2cnn(C)c2C(=O)CO)sc1Br.Cn1ncc(-c2nc(C(F)F)c(C3CC3)s2)c1C(=O)CO.[C-]#[N+]c1csc(-c2cnn(C)c2C(=O)O)n1.

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

The InChIKey is JEVUMGKCRJULBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS.C13H13F2N3O2S.C12H15N3O2S.C10H10BrN3O2S.C9H6N4O2S/c1-14-13-30-22(24-14)17-12-23-27(2)20(17)18(29)10-15-8-9-28-19(11-15)25-21(26-28)16-6-4-3-5-7-16;1-18-10(8(20)5-19)7(4-16-18)13-17-9(12(14)15)11(21-13)6-2-3-6;1-4-10-7(2)14-12(18-10)8-5-13-15(3)11(8)9(17)6-16;1-5-9(11)17-10(13-5)6-3-12-14(2)8(6)7(16)4-15;1-10-6-4-16-8(12-6)5-3-11-13(2)7(5)9(14)15/h3-7,12-13,15H,8-11H2,1-2H3;4,6,12,19H,2-3,5H2,1H3;5,16H,4,6H2,1-3H3;3,15H,4H2,1-2H3;3-4H,2H3,(H,14,15).

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

1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone has a molecular weight of 1547.61 g/mol, XLogP of 11.65, 19 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4-isocyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 158896110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).