sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate

C52H57N18NaO10S3 — CID 160502845

About sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate

sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate (PubChem CID 160502845) has the molecular formula C52H57N18NaO10S3 and a molecular weight of 1213.33 g/mol. Its IUPAC name is sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate.

Molecular Properties

• Compound Name: sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate
• PubChem CID: 160502845
• Molecular Formula: C52H57N18NaO10S3
• Molecular Weight: 1213.33 g/mol
• Exact Mass: 1212.36
• IUPAC Name: sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate
• SMILES: CC(C)c1nsc(-c2cnn(C)c2C(=O)CO)n1.Cc1cnc(-c2cnn(C)c2C(=O)CO)s1.Cc1cncc(-c2cnn(C)c2C(=O)CO)n1.Cc1cncc(-c2cnn(C)c2C(=O)[O-])n1.Cc1nc(-c2cnn(C)c2C(=O)CO)cs1.[Na+]
• InChI: InChI=1S/C11H14N4O2S.C11H12N4O2.C10H10N4O2.2C10H11N3O2S.Na/c1-6(2)10-13-11(18-14-10)7-4-12-15(3)9(7)8(17)5-16;1-7-3-12-5-9(14-7)8-4-13-15(2)11(8)10(17)6-16;1-6-3-11-5-8(13-6)7-4-12-14(2)9(7)10(15)16;1-6-12-8(5-16-6)7-3-11-13(2)10(7)9(15)4-14;1-6-3-11-10(16-6)7-4-12-13(2)9(7)8(15)5-14;/h4,6,16H,5H2,1-3H3;3-5,16H,6H2,1-2H3;3-5H,1-2H3,(H,15,16);3,5,14H,4H2,1-2H3;3-4,14H,5H2,1-2H3;/q;;;;;+1/p-1
• InChIKey: QRZXJBOZVXSNBY-UHFFFAOYSA-M
• XLogP: 0.20
• TPSA: 381.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1213.33
LogP ≤ 5	0.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate?

The IUPAC name of sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate (CID 160502845) is sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate.

What is the SMILES notation for sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate?

The canonical SMILES for sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate is CC(C)c1nsc(-c2cnn(C)c2C(=O)CO)n1.Cc1cnc(-c2cnn(C)c2C(=O)CO)s1.Cc1cncc(-c2cnn(C)c2C(=O)CO)n1.Cc1cncc(-c2cnn(C)c2C(=O)[O-])n1.Cc1nc(-c2cnn(C)c2C(=O)CO)cs1.[Na+].

What is the InChIKey of sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate?

The InChIKey is QRZXJBOZVXSNBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N4O2S.C11H12N4O2.C10H10N4O2.2C10H11N3O2S.Na/c1-6(2)10-13-11(18-14-10)7-4-12-15(3)9(7)8(17)5-16;1-7-3-12-5-9(14-7)8-4-13-15(2)11(8)10(17)6-16;1-6-3-11-5-8(13-6)7-4-12-14(2)9(7)10(15)16;1-6-12-8(5-16-6)7-3-11-13(2)10(7)9(15)4-14;1-6-3-11-10(16-6)7-4-12-13(2)9(7)8(15)5-14;/h4,6,16H,5H2,1-3H3;3-5,16H,6H2,1-2H3;3-5H,1-2H3,(H,15,16);3,5,14H,4H2,1-2H3;3-4,14H,5H2,1-2H3;/q;;;;;+1/p-1.

What are the key properties of sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate?

sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate has a molecular weight of 1213.33 g/mol, XLogP of 0.20, 15 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate is sourced from PubChem (CID 160502845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).