4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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

C64H64N24O12 — CID 158964551

About 4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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

4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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 158964551) has the molecular formula C64H64N24O12 and a molecular weight of 1361.37 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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: 4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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: 158964551
• Molecular Formula: C64H64N24O12
• Molecular Weight: 1361.37 g/mol
• Exact Mass: 1360.51
• IUPAC Name: 4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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: Cc1ccnnc1-c1cnn(C)c1C(=O)CO.Cc1ccnnc1-c1cnn(C)c1C(=O)O.Cc1ncc(C)c(-c2cnn(C)c2C(=O)O)n1.Cc1nccc(-c2cnn(C)c2C(=O)CO)n1.Cc1nccc(-c2cnn(C)c2C(=O)O)n1.Cn1ncc(-c2ccc(C#N)cn2)c1C(=O)O
• InChI: InChI=1S/3C11H12N4O2.C11H8N4O2.2C10H10N4O2/c1-6-4-12-7(2)14-9(6)8-5-13-15(3)10(8)11(16)17;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;1-15-10(11(16)17)8(6-14-15)9-3-2-7(4-12)5-13-9;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/h4-5H,1-3H3,(H,16,17);2*3-5,16H,6H2,1-2H3;2-3,5-6H,1H3,(H,16,17);2*3-5H,1-2H3,(H,15,16)
• InChIKey: JNALCYAYUJTGRR-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 496.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1361.37
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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 4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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 158964551) is 4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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 4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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 4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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 Cc1ccnnc1-c1cnn(C)c1C(=O)CO.Cc1ccnnc1-c1cnn(C)c1C(=O)O.Cc1ncc(C)c(-c2cnn(C)c2C(=O)O)n1.Cc1nccc(-c2cnn(C)c2C(=O)CO)n1.Cc1nccc(-c2cnn(C)c2C(=O)O)n1.Cn1ncc(-c2ccc(C#N)cn2)c1C(=O)O.

What is the InChIKey of 4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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 JNALCYAYUJTGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H12N4O2.C11H8N4O2.2C10H10N4O2/c1-6-4-12-7(2)14-9(6)8-5-13-15(3)10(8)11(16)17;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;1-15-10(11(16)17)8(6-14-15)9-3-2-7(4-12)5-13-9;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/h4-5H,1-3H3,(H,16,17);2*3-5,16H,6H2,1-2H3;2-3,5-6H,1H3,(H,16,17);2*3-5H,1-2H3,(H,15,16).

What are the key properties of 4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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?

4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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 1361.37 g/mol, XLogP of 4.73, 14 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;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 158964551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).