1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid

C64H68N24O14 — CID 158026267

About 1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid

1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid (PubChem CID 158026267) has the molecular formula C64H68N24O14 and a molecular weight of 1397.40 g/mol. Its IUPAC name is 1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid
• PubChem CID: 158026267
• Molecular Formula: C64H68N24O14
• Molecular Weight: 1397.40 g/mol
• Exact Mass: 1396.53
• IUPAC Name: 1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid
• SMILES: COc1cncnc1-c1cnn(C)c1C(=O)CO.COc1cncnc1-c1cnn(C)c1C(=O)O.Cc1cncnc1-c1cnn(C)c1C(=O)CO.Cc1cncnc1-c1cnn(C)c1C(=O)O.Cc1nccnc1-c1cnn(C)c1C(=O)O.Cc1ncnc(-c2cnn(C)c2C(=O)CO)c1C
• InChI: InChI=1S/C12H14N4O2.C11H12N4O3.C11H12N4O2.C10H10N4O3.2C10H10N4O2/c1-7-8(2)13-6-14-11(7)9-4-15-16(3)12(9)10(18)5-17;1-15-11(8(17)5-16)7(3-14-15)10-9(18-2)4-12-6-13-10;1-7-3-12-6-13-10(7)8-4-14-15(2)11(8)9(17)5-16;1-14-9(10(15)16)6(3-13-14)8-7(17-2)4-11-5-12-8;1-6-3-11-5-12-8(6)7-4-13-14(2)9(7)10(15)16;1-6-8(12-4-3-11-6)7-5-13-14(2)9(7)10(15)16/h4,6,17H,5H2,1-3H3;3-4,6,16H,5H2,1-2H3;3-4,6,16H,5H2,1-2H3;3-5H,1-2H3,(H,15,16);2*3-5H,1-2H3,(H,15,16)
• InChIKey: FGQJTEYEPBVHMY-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 503.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1397.40
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid?

The IUPAC name of 1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid (CID 158026267) is 1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid.

What is the SMILES notation for 1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid?

The canonical SMILES for 1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid is COc1cncnc1-c1cnn(C)c1C(=O)CO.COc1cncnc1-c1cnn(C)c1C(=O)O.Cc1cncnc1-c1cnn(C)c1C(=O)CO.Cc1cncnc1-c1cnn(C)c1C(=O)O.Cc1nccnc1-c1cnn(C)c1C(=O)O.Cc1ncnc(-c2cnn(C)c2C(=O)CO)c1C.

What is the InChIKey of 1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid?

The InChIKey is FGQJTEYEPBVHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.C11H12N4O3.C11H12N4O2.C10H10N4O3.2C10H10N4O2/c1-7-8(2)13-6-14-11(7)9-4-15-16(3)12(9)10(18)5-17;1-15-11(8(17)5-16)7(3-14-15)10-9(18-2)4-12-6-13-10;1-7-3-12-6-13-10(7)8-4-14-15(2)11(8)9(17)5-16;1-14-9(10(15)16)6(3-13-14)8-7(17-2)4-11-5-12-8;1-6-3-11-5-12-8(6)7-4-13-14(2)9(7)10(15)16;1-6-8(12-4-3-11-6)7-5-13-14(2)9(7)10(15)16/h4,6,17H,5H2,1-3H3;3-4,6,16H,5H2,1-2H3;3-4,6,16H,5H2,1-2H3;3-5H,1-2H3,(H,15,16);2*3-5H,1-2H3,(H,15,16).

What are the key properties of 1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid?

1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid has a molecular weight of 1397.40 g/mol, XLogP of 3.44, 17 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 158026267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).