1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-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;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

C55H53N17O11S4 — CID 160622178

About 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-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;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;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;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 160622178) has the molecular formula C55H53N17O11S4 and a molecular weight of 1256.40 g/mol. Its IUPAC name is 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-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;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;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;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: 160622178
• Molecular Formula: C55H53N17O11S4
• Molecular Weight: 1256.40 g/mol
• Exact Mass: 1255.30
• IUPAC Name: 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-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;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)CO)sc1C1CC1.Cc1nc(-c2cnn(C)c2C(=O)O)sc1C.Cn1ncc(-c2cccc(C#N)n2)c1C(=O)O.Cn1ncc(-c2nc(C#N)cs2)c1C(=O)O
• InChI: InChI=1S/C13H15N3O2S.C12H13N3O3S.C11H8N4O2.C10H11N3O2S.C9H6N4O2S/c1-7-12(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;1-15-10(11(16)17)8(6-13-15)9-4-2-3-7(5-12)14-9;1-5-6(2)16-9(12-5)7-4-11-13(3)8(7)10(14)15;1-13-7(9(14)15)6(3-11-13)8-12-5(2-10)4-16-8/h5,8,17H,3-4,6H2,1-2H3;4,16H,5H2,1-3H3;2-4,6H,1H3,(H,16,17);4H,1-3H3,(H,14,15);3-4H,1H3,(H,14,15)
• InChIKey: RGVPKGAENYVJFD-UHFFFAOYSA-N
• XLogP: 7.16
• TPSA: 404.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 14
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1256.40
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

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;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;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;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;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 160622178) is 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-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;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;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;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;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;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)CO)sc1C1CC1.Cc1nc(-c2cnn(C)c2C(=O)O)sc1C.Cn1ncc(-c2cccc(C#N)n2)c1C(=O)O.Cn1ncc(-c2nc(C#N)cs2)c1C(=O)O.

What is the InChIKey of 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-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;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 RGVPKGAENYVJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S.C12H13N3O3S.C11H8N4O2.C10H11N3O2S.C9H6N4O2S/c1-7-12(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;1-15-10(11(16)17)8(6-13-15)9-4-2-3-7(5-12)14-9;1-5-6(2)16-9(12-5)7-4-11-13(3)8(7)10(14)15;1-13-7(9(14)15)6(3-11-13)8-12-5(2-10)4-16-8/h5,8,17H,3-4,6H2,1-2H3;4,16H,5H2,1-3H3;2-4,6H,1H3,(H,16,17);4H,1-3H3,(H,14,15);3-4H,1H3,(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;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;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;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;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 1256.40 g/mol, XLogP of 7.16, 14 rotatable bonds, 5 hydrogen bond donors, and 29 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;4-(6-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(4-cyano-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;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 160622178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).