4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

C₅₄H₅₂N₂₀O₁₀ — CID 158974416

About 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (PubChem CID 158974416) has the molecular formula C₅₄H₅₂N₂₀O₁₀ and a molecular weight of 1141.14 g/mol. Its IUPAC name is 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
• PubChem CID: 158974416
• Molecular Formula: C₅₄H₅₂N₂₀O₁₀
• Molecular Weight: 1141.14 g/mol
• Exact Mass: 1140.42
• IUPAC Name: 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
• SMILES: COC(=O)c1ccn2nc(N)nc2c1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)CO)n1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)O)n1.Cn1ncc(-c2ncccc2C#N)c1C(=O)CO.Cn1ncc(-c2ncccc2C#N)c1C(=O)O
• InChI: InChI=1S/C12H14N4O2.C12H10N4O2.C11H12N4O2.C11H8N4O2.C8H8N4O2/c1-7-4-13-8(2)11(15-7)9-5-14-16(3)12(9)10(18)6-17;1-16-12(10(18)7-17)9(6-15-16)11-8(5-13)3-2-4-14-11;1-6-4-12-7(2)9(14-6)8-5-13-15(3)10(8)11(16)17;1-15-10(11(16)17)8(6-14-15)9-7(5-12)3-2-4-13-9;1-14-7(13)5-2-3-12-6(4-5)10-8(9)11-12/h4-5,17H,6H2,1-3H3;2-4,6,17H,7H2,1H3;4-5H,1-3H3,(H,16,17);2-4,6H,1H3,(H,16,17);2-4H,1H3,(H2,9,11)
• InChIKey: JOFCQADAHYHELT-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 427.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1141.14
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?

The IUPAC name of 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (CID 158974416) is 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.

What is the SMILES notation for 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?

The canonical SMILES for 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2nc(N)nc2c1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)CO)n1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)O)n1.Cn1ncc(-c2ncccc2C#N)c1C(=O)CO.Cn1ncc(-c2ncccc2C#N)c1C(=O)O.

What is the InChIKey of 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?

The InChIKey is JOFCQADAHYHELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.C12H10N4O2.C11H12N4O2.C11H8N4O2.C8H8N4O2/c1-7-4-13-8(2)11(15-7)9-5-14-16(3)12(9)10(18)6-17;1-16-12(10(18)7-17)9(6-15-16)11-8(5-13)3-2-4-14-11;1-6-4-12-7(2)9(14-6)8-5-13-15(3)10(8)11(16)17;1-15-10(11(16)17)8(6-14-15)9-7(5-12)3-2-4-13-9;1-14-7(13)5-2-3-12-6(4-5)10-8(9)11-12/h4-5,17H,6H2,1-3H3;2-4,6,17H,7H2,1H3;4-5H,1-3H3,(H,16,17);2-4,6H,1H3,(H,16,17);2-4H,1H3,(H2,9,11).

What are the key properties of 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?

4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate has a molecular weight of 1141.14 g/mol, XLogP of 3.54, 11 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 158974416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158974416 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.