1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid

C63H63ClF2N24O17 — CID 158275269

About 1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid

1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 158275269) has the molecular formula C63H63ClF2N24O17 and a molecular weight of 1501.80 g/mol. Its IUPAC name is 1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid
• PubChem CID: 158275269
• Molecular Formula: C63H63ClF2N24O17
• Molecular Weight: 1501.80 g/mol
• Exact Mass: 1500.45
• IUPAC Name: 1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid
• SMILES: COc1ncc(F)c(-c2cnn(C)c2C(=O)CO)n1.COc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1.COc1nccc(-c2cnn(C)c2C(=O)CO)n1.COc1nccnc1-c1cnn(C)c1C(=O)CO.COc1nccnc1-c1cnn(C)c1C(=O)O.Cn1ncc(-c2ncncc2Cl)c1C(=O)CO
• InChI: InChI=1S/C11H11FN4O3.2C11H12N4O3.C10H9ClN4O2.C10H9FN4O3.C10H10N4O3/c1-16-10(8(18)5-17)6(3-14-16)9-7(12)4-13-11(15-9)19-2;1-15-10(8(17)6-16)7(5-14-15)9-11(18-2)13-4-3-12-9;1-15-10(9(17)6-16)7(5-13-15)8-3-4-12-11(14-8)18-2;1-15-10(8(17)4-16)6(2-14-15)9-7(11)3-12-5-13-9;1-15-8(9(16)17)5(3-13-15)7-6(11)4-12-10(14-7)18-2;1-14-8(10(15)16)6(5-13-14)7-9(17-2)12-4-3-11-7/h3-4,17H,5H2,1-2H3;2*3-5,16H,6H2,1-2H3;2-3,5,16H,4H2,1H3;3-4H,1-2H3,(H,16,17);3-5H,1-2H3,(H,15,16)
• InChIKey: GJNMSBFXXUSPSK-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 531.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 21
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1501.80
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid?

The IUPAC name of 1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid (CID 158275269) is 1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid.

What is the SMILES notation for 1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid?

The canonical SMILES for 1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid is COc1ncc(F)c(-c2cnn(C)c2C(=O)CO)n1.COc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1.COc1nccc(-c2cnn(C)c2C(=O)CO)n1.COc1nccnc1-c1cnn(C)c1C(=O)CO.COc1nccnc1-c1cnn(C)c1C(=O)O.Cn1ncc(-c2ncncc2Cl)c1C(=O)CO.

What is the InChIKey of 1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid?

The InChIKey is GJNMSBFXXUSPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3.2C11H12N4O3.C10H9ClN4O2.C10H9FN4O3.C10H10N4O3/c1-16-10(8(18)5-17)6(3-14-16)9-7(12)4-13-11(15-9)19-2;1-15-10(8(17)6-16)7(5-14-15)9-11(18-2)13-4-3-12-9;1-15-10(9(17)6-16)7(5-13-15)8-3-4-12-11(14-8)18-2;1-15-10(8(17)4-16)6(2-14-15)9-7(11)3-12-5-13-9;1-15-8(9(16)17)5(3-13-15)7-6(11)4-12-10(14-7)18-2;1-14-8(10(15)16)6(5-13-14)7-9(17-2)12-4-3-11-7/h3-4,17H,5H2,1-2H3;2*3-5,16H,6H2,1-2H3;2-3,5,16H,4H2,1H3;3-4H,1-2H3,(H,16,17);3-5H,1-2H3,(H,15,16).

What are the key properties of 1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid?

1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 1501.80 g/mol, XLogP of 2.33, 21 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 158275269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).