1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid

C52H48BrN17O10S4 — CID 158731601

About 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid

1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 158731601) has the molecular formula C52H48BrN17O10S4 and a molecular weight of 1279.24 g/mol. Its IUPAC name is 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid
• PubChem CID: 158731601
• Molecular Formula: C52H48BrN17O10S4
• Molecular Weight: 1279.24 g/mol
• Exact Mass: 1277.18
• IUPAC Name: 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid
• SMILES: Cc1nc(-c2cnn(C)c2C(=O)CO)sc1Br.Cc1nc(-c2cnn(C)c2C(=O)O)c(C)s1.Cc1nc(-c2cnn(C)c2C(=O)O)sc1C1CC1.Cn1ncc(-c2cccc(C#N)n2)c1C(=O)O.Cn1ncc(-c2nc(C#N)cs2)c1C(=O)O
• InChI: InChI=1S/C12H13N3O2S.C11H8N4O2.C10H10BrN3O2S.C10H11N3O2S.C9H6N4O2S/c1-6-10(7-3-4-7)18-11(14-6)8-5-13-15(2)9(8)12(16)17;1-15-10(11(16)17)8(6-13-15)9-4-2-3-7(5-12)14-9;1-5-9(11)17-10(13-5)6-3-12-14(2)8(6)7(16)4-15;1-5-8(12-6(2)16-5)7-4-11-13(3)9(7)10(14)15;1-13-7(9(14)15)6(3-11-13)8-12-5(2-10)4-16-8/h5,7H,3-4H2,1-2H3,(H,16,17);2-4,6H,1H3,(H,16,17);3,15H,4H2,1-2H3;4H,1-3H3,(H,14,15);3-4H,1H3,(H,14,15)
• InChIKey: ILDWRHXZSZGXSB-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 387.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1279.24
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

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;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid?

The IUPAC name of 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid (CID 158731601) is 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid.

What is the SMILES notation for 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid?

The canonical SMILES for 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid is Cc1nc(-c2cnn(C)c2C(=O)CO)sc1Br.Cc1nc(-c2cnn(C)c2C(=O)O)c(C)s1.Cc1nc(-c2cnn(C)c2C(=O)O)sc1C1CC1.Cn1ncc(-c2cccc(C#N)n2)c1C(=O)O.Cn1ncc(-c2nc(C#N)cs2)c1C(=O)O.

What is the InChIKey of 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid?

The InChIKey is ILDWRHXZSZGXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S.C11H8N4O2.C10H10BrN3O2S.C10H11N3O2S.C9H6N4O2S/c1-6-10(7-3-4-7)18-11(14-6)8-5-13-15(2)9(8)12(16)17;1-15-10(11(16)17)8(6-13-15)9-4-2-3-7(5-12)14-9;1-5-9(11)17-10(13-5)6-3-12-14(2)8(6)7(16)4-15;1-5-8(12-6(2)16-5)7-4-11-13(3)9(7)10(14)15;1-13-7(9(14)15)6(3-11-13)8-12-5(2-10)4-16-8/h5,7H,3-4H2,1-2H3,(H,16,17);2-4,6H,1H3,(H,16,17);3,15H,4H2,1-2H3;4H,1-3H3,(H,14,15);3-4H,1H3,(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;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid?

1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 1279.24 g/mol, XLogP of 8.24, 12 rotatable bonds, 5 hydrogen bond donors, and 27 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;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 158731601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).