2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid

C₅₃H₅₆N₂₀O₁₁ — CID 157269337

About 2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid

2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid (PubChem CID 157269337) has the molecular formula C₅₃H₅₆N₂₀O₁₁ and a molecular weight of 1149.16 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid
• PubChem CID: 157269337
• Molecular Formula: C₅₃H₅₆N₂₀O₁₁
• Molecular Weight: 1149.16 g/mol
• Exact Mass: 1148.44
• IUPAC Name: 2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid
• SMILES: COc1nccc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnnc1-c1cnn(C)c1C(=O)CO.Cc1ccnnc1-c1cnn(C)c1C(=O)O.Cc1nccc(-c2cnn(C)c2C(=O)CO)n1.Cc1nccc(-c2cnn(C)c2C(=O)O)n1
• InChI: InChI=1S/C11H12N4O3.2C11H12N4O2.2C10H10N4O2/c1-15-10(9(17)6-16)7(5-13-15)8-3-4-12-11(14-8)18-2;1-7-12-4-3-9(14-7)8-5-13-15(2)11(8)10(17)6-16;1-7-3-4-12-14-10(7)8-5-13-15(2)11(8)9(17)6-16;1-6-11-4-3-8(13-6)7-5-12-14(2)9(7)10(15)16;1-6-3-4-11-13-8(6)7-5-12-14(2)9(7)10(15)16/h3-5,16H,6H2,1-2H3;2*3-5,16H,6H2,1-2H3;2*3-5H,1-2H3,(H,15,16)
• InChIKey: AYIXCKINSALTSC-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 413.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1149.16
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid?

The IUPAC name of 2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid (CID 157269337) is 2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid.

What is the SMILES notation for 2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid?

The canonical SMILES for 2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid is COc1nccc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnnc1-c1cnn(C)c1C(=O)CO.Cc1ccnnc1-c1cnn(C)c1C(=O)O.Cc1nccc(-c2cnn(C)c2C(=O)CO)n1.Cc1nccc(-c2cnn(C)c2C(=O)O)n1.

What is the InChIKey of 2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid?

The InChIKey is AYIXCKINSALTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3.2C11H12N4O2.2C10H10N4O2/c1-15-10(9(17)6-16)7(5-13-15)8-3-4-12-11(14-8)18-2;1-7-12-4-3-9(14-7)8-5-13-15(2)11(8)10(17)6-16;1-7-3-4-12-14-10(7)8-5-13-15(2)11(8)9(17)6-16;1-6-11-4-3-8(13-6)7-5-12-14(2)9(7)10(15)16;1-6-3-4-11-13-8(6)7-5-12-14(2)9(7)10(15)16/h3-5,16H,6H2,1-2H3;2*3-5,16H,6H2,1-2H3;2*3-5H,1-2H3,(H,15,16).

What are the key properties of 2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid?

2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid has a molecular weight of 1149.16 g/mol, XLogP of 2.55, 14 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 157269337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157269337 — identifiers, structure, computed properties (public domain)

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