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

C69H76F2N24O12 — CID 157178344

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

4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazole-5-carboxylic acid (PubChem CID 157178344) has the molecular formula C69H76F2N24O12 and a molecular weight of 1471.52 g/mol. Its IUPAC name is 4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazole-5-carboxylic acid
• PubChem CID: 157178344
• Molecular Formula: C69H76F2N24O12
• Molecular Weight: 1471.52 g/mol
• Exact Mass: 1470.60
• IUPAC Name: 4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazole-5-carboxylic acid
• SMILES: Cc1nc(C)c(C)c(-c2cnn(C)c2C(=O)CO)n1.Cc1nc(C)c(C)c(-c2cnn(C)c2C(=O)O)n1.Cc1ncc(F)c(-c2cnn(C)c2C(=O)CO)n1.Cc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1.Cc1ncnc(-c2cnn(C)c2C(=O)CO)c1C.Cc1ncnc(-c2cnn(C)c2C(=O)O)c1C
• InChI: InChI=1S/C13H16N4O2.2C12H14N4O2.C11H11FN4O2.C11H12N4O2.C10H9FN4O2/c1-7-8(2)15-9(3)16-12(7)10-5-14-17(4)13(10)11(19)6-18;1-7-8(2)13-6-14-11(7)9-4-15-16(3)12(9)10(18)5-17;1-6-7(2)14-8(3)15-10(6)9-5-13-16(4)11(9)12(17)18;1-6-13-4-8(12)10(15-6)7-3-14-16(2)11(7)9(18)5-17;1-6-7(2)12-5-13-9(6)8-4-14-15(3)10(8)11(16)17;1-5-12-4-7(11)8(14-5)6-3-13-15(2)9(6)10(16)17/h5,18H,6H2,1-4H3;4,6,17H,5H2,1-3H3;5H,1-4H3,(H,17,18);3-4,17H,5H2,1-2H3;4-5H,1-3H3,(H,16,17);3-4H,1-2H3,(H,16,17)
• InChIKey: AOGZDMAQLGEPMY-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 485.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1471.52
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

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

The IUPAC name of 4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazole-5-carboxylic acid (CID 157178344) is 4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazole-5-carboxylic acid.

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

The canonical SMILES for 4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazole-5-carboxylic acid is Cc1nc(C)c(C)c(-c2cnn(C)c2C(=O)CO)n1.Cc1nc(C)c(C)c(-c2cnn(C)c2C(=O)O)n1.Cc1ncc(F)c(-c2cnn(C)c2C(=O)CO)n1.Cc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1.Cc1ncnc(-c2cnn(C)c2C(=O)CO)c1C.Cc1ncnc(-c2cnn(C)c2C(=O)O)c1C.

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

The InChIKey is AOGZDMAQLGEPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2.2C12H14N4O2.C11H11FN4O2.C11H12N4O2.C10H9FN4O2/c1-7-8(2)15-9(3)16-12(7)10-5-14-17(4)13(10)11(19)6-18;1-7-8(2)13-6-14-11(7)9-4-15-16(3)12(9)10(18)5-17;1-6-7(2)14-8(3)15-10(6)9-5-13-16(4)11(9)12(17)18;1-6-13-4-8(12)10(15-6)7-3-14-16(2)11(7)9(18)5-17;1-6-7(2)12-5-13-9(6)8-4-14-15(3)10(8)11(16)17;1-5-12-4-7(11)8(14-5)6-3-13-15(2)9(6)10(16)17/h5,18H,6H2,1-4H3;4,6,17H,5H2,1-3H3;5H,1-4H3,(H,17,18);3-4,17H,5H2,1-2H3;4-5H,1-3H3,(H,16,17);3-4H,1-2H3,(H,16,17).

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

4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazole-5-carboxylic acid has a molecular weight of 1471.52 g/mol, XLogP of 5.86, 15 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 157178344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).