2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid

C56H64BN15O12 — CID 159479532

About 2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid

2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid (PubChem CID 159479532) has the molecular formula C56H64BN15O12 and a molecular weight of 1150.03 g/mol. Its IUPAC name is 2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid
• PubChem CID: 159479532
• Molecular Formula: C56H64BN15O12
• Molecular Weight: 1150.03 g/mol
• Exact Mass: 1149.50
• IUPAC Name: 2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid
• SMILES: Cc1cccc(-c2cnn(C)c2C(=O)O)n1.Cc1cccnc1-c1cnn(C)c1C(=O)CO.Cc1cccnc1-c1cnn(C)c1C(=O)O.Cc1cnc(-c2cnn(C)c2C(=O)O)cn1.Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)CO
• InChI: InChI=1S/C12H19BN2O4.C12H13N3O2.2C11H11N3O2.C10H10N4O2/c1-11(2)12(3,4)19-13(18-11)8-6-14-15(5)10(8)9(17)7-16;1-8-4-3-5-13-11(8)9-6-14-15(2)12(9)10(17)7-16;1-7-4-3-5-12-9(7)8-6-13-14(2)10(8)11(15)16;1-7-4-3-5-9(13-7)8-6-12-14(2)10(8)11(15)16;1-6-3-12-8(5-11-6)7-4-13-14(2)9(7)10(15)16/h6,16H,7H2,1-5H3;3-6,16H,7H2,1-2H3;2*3-6H,1-2H3,(H,15,16);3-5H,1-2H3,(H,15,16)
• InChIKey: LWVBOEIZWDVDML-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 358.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1150.03
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?

The IUPAC name of 2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid (CID 159479532) is 2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid.

What is the SMILES notation for 2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?

The canonical SMILES for 2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid is Cc1cccc(-c2cnn(C)c2C(=O)O)n1.Cc1cccnc1-c1cnn(C)c1C(=O)CO.Cc1cccnc1-c1cnn(C)c1C(=O)O.Cc1cnc(-c2cnn(C)c2C(=O)O)cn1.Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)CO.

What is the InChIKey of 2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?

The InChIKey is LWVBOEIZWDVDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BN2O4.C12H13N3O2.2C11H11N3O2.C10H10N4O2/c1-11(2)12(3,4)19-13(18-11)8-6-14-15(5)10(8)9(17)7-16;1-8-4-3-5-13-11(8)9-6-14-15(2)12(9)10(17)7-16;1-7-4-3-5-12-9(7)8-6-13-14(2)10(8)11(15)16;1-7-4-3-5-9(13-7)8-6-12-14(2)10(8)11(15)16;1-6-3-12-8(5-11-6)7-4-13-14(2)9(7)10(15)16/h6,16H,7H2,1-5H3;3-6,16H,7H2,1-2H3;2*3-6H,1-2H3,(H,15,16);3-5H,1-2H3,(H,15,16).

What are the key properties of 2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?

2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid has a molecular weight of 1150.03 g/mol, XLogP of 4.72, 12 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 159479532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).