1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone

C53H52BrF6N15O10S4 — CID 158565950

About 1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone

1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone (PubChem CID 158565950) has the molecular formula C53H52BrF6N15O10S4 and a molecular weight of 1381.25 g/mol. Its IUPAC name is 1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone
• PubChem CID: 158565950
• Molecular Formula: C53H52BrF6N15O10S4
• Molecular Weight: 1381.25 g/mol
• Exact Mass: 1379.20
• IUPAC Name: 1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone
• SMILES: Cc1cccc(-c2cnn(C)c2C(=O)CO)n1.Cc1csc(-c2cnn(C)c2C(=O)CO)n1.Cc1sc(-c2cnn(C)c2C(=O)CO)nc1C(F)F.Cn1ncc(-c2nc(C(F)F)c(Br)s2)c1C(=O)CO.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CO
• InChI: InChI=1S/C12H13N3O2.C11H11F2N3O2S.C10H8BrF2N3O2S.C10H9F2N3O2S.C10H11N3O2S/c1-8-4-3-5-10(14-8)9-6-13-15(2)12(9)11(17)7-16;1-5-8(10(12)13)15-11(19-5)6-3-14-16(2)9(6)7(18)4-17;1-16-7(5(18)3-17)4(2-14-16)10-15-6(9(12)13)8(11)19-10;1-15-8(7(17)3-16)5(2-13-15)10-14-6(4-18-10)9(11)12;1-6-5-16-10(12-6)7-3-11-13(2)9(7)8(15)4-14/h3-6,16H,7H2,1-2H3;3,10,17H,4H2,1-2H3;2,9,17H,3H2,1H3;2,4,9,16H,3H2,1H3;3,5,14H,4H2,1-2H3
• InChIKey: HRLZIXXLYHDGDN-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 340.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1381.25
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone?

The IUPAC name of 1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone (CID 158565950) is 1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone.

What is the SMILES notation for 1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone?

The canonical SMILES for 1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone is Cc1cccc(-c2cnn(C)c2C(=O)CO)n1.Cc1csc(-c2cnn(C)c2C(=O)CO)n1.Cc1sc(-c2cnn(C)c2C(=O)CO)nc1C(F)F.Cn1ncc(-c2nc(C(F)F)c(Br)s2)c1C(=O)CO.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CO.

What is the InChIKey of 1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone?

The InChIKey is HRLZIXXLYHDGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2.C11H11F2N3O2S.C10H8BrF2N3O2S.C10H9F2N3O2S.C10H11N3O2S/c1-8-4-3-5-10(14-8)9-6-13-15(2)12(9)11(17)7-16;1-5-8(10(12)13)15-11(19-5)6-3-14-16(2)9(6)7(18)4-17;1-16-7(5(18)3-17)4(2-14-16)10-15-6(9(12)13)8(11)19-10;1-15-8(7(17)3-16)5(2-13-15)10-14-6(4-18-10)9(11)12;1-6-5-16-10(12-6)7-3-11-13(2)9(7)8(15)4-14/h3-6,16H,7H2,1-2H3;3,10,17H,4H2,1-2H3;2,9,17H,3H2,1H3;2,4,9,16H,3H2,1H3;3,5,14H,4H2,1-2H3.

What are the key properties of 1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone?

1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone has a molecular weight of 1381.25 g/mol, XLogP of 8.03, 18 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-bromo-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone is sourced from PubChem (CID 158565950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).