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

C64H67ClN24O14 — CID 158406281

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

4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid (PubChem CID 158406281) has the molecular formula C64H67ClN24O14 and a molecular weight of 1431.85 g/mol. Its IUPAC name is 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid
• PubChem CID: 158406281
• Molecular Formula: C64H67ClN24O14
• Molecular Weight: 1431.85 g/mol
• Exact Mass: 1430.50
• IUPAC Name: 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid
• SMILES: COc1cncc(-c2cnn(C)c2C(=O)O)n1.COc1nccc(-c2cnn(C)c2C(=O)CO)n1.Cc1cc(C)nc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)O)n1.Cc1ncc(Cl)c(-c2cnn(C)c2C(=O)O)n1
• InChI: InChI=1S/C12H14N4O2.C11H12N4O3.C11H12N4O2.C10H9ClN4O2.C10H10N4O3.C10H10N4O2/c1-7-4-8(2)15-12(14-7)9-5-13-16(3)11(9)10(18)6-17;1-15-10(9(17)6-16)7(5-13-15)8-3-4-12-11(14-8)18-2;1-7-3-4-12-11(14-7)8-5-13-15(2)10(8)9(17)6-16;1-5-12-4-7(11)8(14-5)6-3-13-15(2)9(6)10(16)17;1-14-9(10(15)16)6(3-12-14)7-4-11-5-8(13-7)17-2;1-6-3-4-11-9(13-6)7-5-12-14(2)8(7)10(15)16/h4-5,17H,6H2,1-3H3;3-5,16H,6H2,1-2H3;3-5,16H,6H2,1-2H3;3-4H,1-2H3,(H,16,17);3-5H,1-2H3,(H,15,16);3-5H,1-2H3,(H,15,16)
• InChIKey: GYSVLIYVMVVYFU-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 503.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1431.85
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

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

The IUPAC name of 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid (CID 158406281) is 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid.

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

The canonical SMILES for 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid is COc1cncc(-c2cnn(C)c2C(=O)O)n1.COc1nccc(-c2cnn(C)c2C(=O)CO)n1.Cc1cc(C)nc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)O)n1.Cc1ncc(Cl)c(-c2cnn(C)c2C(=O)O)n1.

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

The InChIKey is GYSVLIYVMVVYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.C11H12N4O3.C11H12N4O2.C10H9ClN4O2.C10H10N4O3.C10H10N4O2/c1-7-4-8(2)15-12(14-7)9-5-13-16(3)11(9)10(18)6-17;1-15-10(9(17)6-16)7(5-13-15)8-3-4-12-11(14-8)18-2;1-7-3-4-12-11(14-7)8-5-13-15(2)10(8)9(17)6-16;1-5-12-4-7(11)8(14-5)6-3-13-15(2)9(6)10(16)17;1-14-9(10(15)16)6(3-12-14)7-4-11-5-8(13-7)17-2;1-6-3-4-11-9(13-6)7-5-12-14(2)8(7)10(15)16/h4-5,17H,6H2,1-3H3;3-5,16H,6H2,1-2H3;3-5,16H,6H2,1-2H3;3-4H,1-2H3,(H,16,17);3-5H,1-2H3,(H,15,16);3-5H,1-2H3,(H,15,16).

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

4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid has a molecular weight of 1431.85 g/mol, XLogP of 4.09, 17 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 158406281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).