sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-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

C53H58N19NaO10S2 — CID 158773193

IUPACsodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-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
SMILESCC(C)c1nsc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-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.[Na+]
InChIInChI=1S/C11H14N4O2S.2C11H12N4O2.C10H10N4O2.C10H11N3O2S.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;1-7-3-4-12-11(14-7)8-5-13-15(2)10(8)9(17)6-16;1-6-3-11-5-8(13-6)7-4-12-14(2)9(7)10(15)16;1-6-3-11-10(16-6)7-4-12-13(2)9(7)8(15)5-14;/h4,6,16H,5H2,1-3H3;2*3-5,16H,6H2,1-2H3;3-5H,1-2H3,(H,15,16);3-4,14H,5H2,1-2H3;/q;;;;;+1/p-1
InChIKeyIQDFLJWOZLXRCL-UHFFFAOYSA-M
MW1208.29 g/mol
LogP-0.46
Rot. Bonds15

About sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-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-(4-methylpyrimidin-2-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 158773193) has the molecular formula C53H58N19NaO10S2 and a molecular weight of 1208.29 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-(4-methylpyrimidin-2-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 Namesodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-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 CID158773193
Molecular FormulaC53H58N19NaO10S2
Molecular Weight1208.29 g/mol
Exact Mass1207.40
IUPAC Namesodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-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
SMILESCC(C)c1nsc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-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.[Na+]
InChIInChI=1S/C11H14N4O2S.2C11H12N4O2.C10H10N4O2.C10H11N3O2S.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;1-7-3-4-12-11(14-7)8-5-13-15(2)10(8)9(17)6-16;1-6-3-11-5-8(13-6)7-4-12-14(2)9(7)10(15)16;1-6-3-11-10(16-6)7-4-12-13(2)9(7)8(15)5-14;/h4,6,16H,5H2,1-3H3;2*3-5,16H,6H2,1-2H3;3-5H,1-2H3,(H,15,16);3-4,14H,5H2,1-2H3;/q;;;;;+1/p-1
InChIKeyIQDFLJWOZLXRCL-UHFFFAOYSA-M
XLogP-0.46
TPSA394.44 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds15
Heavy Atoms85
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001208.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-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 with MolForge

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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-(4-methylpyrimidin-2-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-(4-methylpyrimidin-2-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 158773193) is sodium;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-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-(4-methylpyrimidin-2-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-(4-methylpyrimidin-2-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.Cc1ccnc(-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.[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-(4-methylpyrimidin-2-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 IQDFLJWOZLXRCL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N4O2S.2C11H12N4O2.C10H10N4O2.C10H11N3O2S.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;1-7-3-4-12-11(14-7)8-5-13-15(2)10(8)9(17)6-16;1-6-3-11-5-8(13-6)7-4-12-14(2)9(7)10(15)16;1-6-3-11-10(16-6)7-4-12-13(2)9(7)8(15)5-14;/h4,6,16H,5H2,1-3H3;2*3-5,16H,6H2,1-2H3;3-5H,1-2H3,(H,15,16);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-(4-methylpyrimidin-2-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-(4-methylpyrimidin-2-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 1208.29 g/mol, XLogP of -0.46, 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-(4-methylpyrimidin-2-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 158773193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).