disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate

C52H55N19Na2O10S2 — CID 159709064

IUPACdisodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate
SMILESCC(C)c1nsc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)[O-])n1.Cc1cnc(-c2cnn(C)c2C(=O)CO)s1.Cc1cncc(-c2cnn(C)c2C(=O)[O-])n1.[Na+].[Na+]
InChIInChI=1S/C11H14N4O2S.C11H12N4O2.2C10H10N4O2.C10H11N3O2S.2Na/c1-6(2)10-13-11(18-14-10)7-4-12-15(3)9(7)8(17)5-16;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;1-6-3-4-11-9(13-6)7-5-12-14(2)8(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;3-5,16H,6H2,1-2H3;2*3-5H,1-2H3,(H,15,16);3-4,14H,5H2,1-2H3;;/q;;;;;2*+1/p-2
InChIKeyMYPCKROUGASTMU-UHFFFAOYSA-L
MW1216.25 g/mol
LogP-4.27
Rot. Bonds14

About disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate

disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate (PubChem CID 159709064) has the molecular formula C52H55N19Na2O10S2 and a molecular weight of 1216.25 g/mol. Its IUPAC name is disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate.

Molecular Properties

Compound Namedisodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate
PubChem CID159709064
Molecular FormulaC52H55N19Na2O10S2
Molecular Weight1216.25 g/mol
Exact Mass1215.36
IUPAC Namedisodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate
SMILESCC(C)c1nsc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)[O-])n1.Cc1cnc(-c2cnn(C)c2C(=O)CO)s1.Cc1cncc(-c2cnn(C)c2C(=O)[O-])n1.[Na+].[Na+]
InChIInChI=1S/C11H14N4O2S.C11H12N4O2.2C10H10N4O2.C10H11N3O2S.2Na/c1-6(2)10-13-11(18-14-10)7-4-12-15(3)9(7)8(17)5-16;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;1-6-3-4-11-9(13-6)7-5-12-14(2)8(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;3-5,16H,6H2,1-2H3;2*3-5H,1-2H3,(H,15,16);3-4,14H,5H2,1-2H3;;/q;;;;;2*+1/p-2
InChIKeyMYPCKROUGASTMU-UHFFFAOYSA-L
XLogP-4.27
TPSA397.27 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds14
Heavy Atoms85
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001216.25
LogP ≤ 5-4.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate?
The IUPAC name of disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate (CID 159709064) is disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate.
What is the SMILES notation for disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate?
The canonical SMILES for disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate is CC(C)c1nsc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)[O-])n1.Cc1cnc(-c2cnn(C)c2C(=O)CO)s1.Cc1cncc(-c2cnn(C)c2C(=O)[O-])n1.[Na+].[Na+].
What is the InChIKey of disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate?
The InChIKey is MYPCKROUGASTMU-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H14N4O2S.C11H12N4O2.2C10H10N4O2.C10H11N3O2S.2Na/c1-6(2)10-13-11(18-14-10)7-4-12-15(3)9(7)8(17)5-16;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;1-6-3-4-11-9(13-6)7-5-12-14(2)8(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;3-5,16H,6H2,1-2H3;2*3-5H,1-2H3,(H,15,16);3-4,14H,5H2,1-2H3;;/q;;;;;2*+1/p-2.
What are the key properties of disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate?
disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate has a molecular weight of 1216.25 g/mol, XLogP of -4.27, 14 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;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;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate is sourced from PubChem (CID 159709064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).