sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid

C52H54N17NaO12S2 — CID 158866944

About sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid

sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid (PubChem CID 158866944) has the molecular formula C52H54N17NaO12S2 and a molecular weight of 1196.23 g/mol. Its IUPAC name is sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid
• PubChem CID: 158866944
• Molecular Formula: C52H54N17NaO12S2
• Molecular Weight: 1196.23 g/mol
• Exact Mass: 1195.35
• IUPAC Name: sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid
• SMILES: COc1cccc(-c2cnn(C)c2C(=O)CO)n1.COc1cccc(-c2cnn(C)c2C(=O)[O-])n1.Cc1cccc(-c2cnn(C)c2C(=O)CO)n1.Cc1nnc(-c2cnn(C)c2C(=O)CO)s1.Cc1nnc(-c2cnn(C)c2C(=O)O)s1.[Na+]
• InChI: InChI=1S/C12H13N3O3.C12H13N3O2.C11H11N3O3.C9H10N4O2S.C8H8N4O2S.Na/c1-15-12(10(17)7-16)8(6-13-15)9-4-3-5-11(14-9)18-2;1-8-4-3-5-10(14-8)9-6-13-15(2)12(9)11(17)7-16;1-14-10(11(15)16)7(6-12-14)8-4-3-5-9(13-8)17-2;1-5-11-12-9(16-5)6-3-10-13(2)8(6)7(15)4-14;1-4-10-11-7(15-4)5-3-9-12(2)6(5)8(13)14;/h3-6,16H,7H2,1-2H3;3-6,16H,7H2,1-2H3;3-6H,1-2H3,(H,15,16);3,14H,4H2,1-2H3;3H,1-2H3,(H,13,14);/q;;;;;+1/p-1
• InChIKey: JBIVSXVBJWWZQQ-UHFFFAOYSA-M
• XLogP: -0.14
• TPSA: 387.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1196.23
LogP ≤ 5	-0.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid?

The IUPAC name of sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid (CID 158866944) is sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid.

What is the SMILES notation for sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid?

The canonical SMILES for sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid is COc1cccc(-c2cnn(C)c2C(=O)CO)n1.COc1cccc(-c2cnn(C)c2C(=O)[O-])n1.Cc1cccc(-c2cnn(C)c2C(=O)CO)n1.Cc1nnc(-c2cnn(C)c2C(=O)CO)s1.Cc1nnc(-c2cnn(C)c2C(=O)O)s1.[Na+].

What is the InChIKey of sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid?

The InChIKey is JBIVSXVBJWWZQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13N3O3.C12H13N3O2.C11H11N3O3.C9H10N4O2S.C8H8N4O2S.Na/c1-15-12(10(17)7-16)8(6-13-15)9-4-3-5-11(14-9)18-2;1-8-4-3-5-10(14-8)9-6-13-15(2)12(9)11(17)7-16;1-14-10(11(15)16)7(6-12-14)8-4-3-5-9(13-8)17-2;1-5-11-12-9(16-5)6-3-10-13(2)8(6)7(15)4-14;1-4-10-11-7(15-4)5-3-9-12(2)6(5)8(13)14;/h3-6,16H,7H2,1-2H3;3-6,16H,7H2,1-2H3;3-6H,1-2H3,(H,15,16);3,14H,4H2,1-2H3;3H,1-2H3,(H,13,14);/q;;;;;+1/p-1.

What are the key properties of sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid?

sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid has a molecular weight of 1196.23 g/mol, XLogP of -0.14, 15 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 158866944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).