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

C62H63N21Na2O16S2 — CID 160629352

IUPACdisodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid
SMILESCc1cncc(-c2cnn(C)c2C(=O)CO)n1.Cc1cncc(-c2cnn(C)c2C(=O)[O-])n1.Cc1nc(-c2cnn(C)c2C(=O)CO)cs1.Cc1nnc(-c2cnn(C)c2C(=O)O)s1.Cn1ncc(-c2cccc(OCO)n2)c1C(=O)CO.Cn1ncc(-c2cccc(OCO)n2)c1C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C12H13N3O4.C11H12N4O2.C11H11N3O4.C10H10N4O2.C10H11N3O2S.C8H8N4O2S.2Na/c1-15-12(10(18)6-16)8(5-13-15)9-3-2-4-11(14-9)19-7-17;1-7-3-12-5-9(14-7)8-4-13-15(2)11(8)10(17)6-16;1-14-10(11(16)17)7(5-12-14)8-3-2-4-9(13-8)18-6-15;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;1-4-10-11-7(15-4)5-3-9-12(2)6(5)8(13)14;;/h2-5,16-17H,6-7H2,1H3;3-5,16H,6H2,1-2H3;2-5,15H,6H2,1H3,(H,16,17);3-5H,1-2H3,(H,15,16);3,5,14H,4H2,1-2H3;3H,1-2H3,(H,13,14);;/q;;;;;;2*+1/p-2
InChIKeyRHSJPEOOEPAYCI-UHFFFAOYSA-L
MW1468.43 g/mol
LogP-4.95
Rot. Bonds19

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

disodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid (PubChem CID 160629352) has the molecular formula C62H63N21Na2O16S2 and a molecular weight of 1468.43 g/mol. Its IUPAC name is disodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Namedisodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid
PubChem CID160629352
Molecular FormulaC62H63N21Na2O16S2
Molecular Weight1468.43 g/mol
Exact Mass1467.40
IUPAC Namedisodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid
SMILESCc1cncc(-c2cnn(C)c2C(=O)CO)n1.Cc1cncc(-c2cnn(C)c2C(=O)[O-])n1.Cc1nc(-c2cnn(C)c2C(=O)CO)cs1.Cc1nnc(-c2cnn(C)c2C(=O)O)s1.Cn1ncc(-c2cccc(OCO)n2)c1C(=O)CO.Cn1ncc(-c2cccc(OCO)n2)c1C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C12H13N3O4.C11H12N4O2.C11H11N3O4.C10H10N4O2.C10H11N3O2S.C8H8N4O2S.2Na/c1-15-12(10(18)6-16)8(5-13-15)9-3-2-4-11(14-9)19-7-17;1-7-3-12-5-9(14-7)8-4-13-15(2)11(8)10(17)6-16;1-14-10(11(16)17)7(5-12-14)8-3-2-4-9(13-8)18-6-15;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;1-4-10-11-7(15-4)5-3-9-12(2)6(5)8(13)14;;/h2-5,16-17H,6-7H2,1H3;3-5,16H,6H2,1-2H3;2-5,15H,6H2,1H3,(H,16,17);3-5H,1-2H3,(H,15,16);3,5,14H,4H2,1-2H3;3H,1-2H3,(H,13,14);;/q;;;;;;2*+1/p-2
InChIKeyRHSJPEOOEPAYCI-UHFFFAOYSA-L
XLogP-4.95
TPSA511.31 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds19
Heavy Atoms103
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.43
LogP ≤ 5-4.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze disodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of disodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid?
The IUPAC name of disodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid (CID 160629352) is disodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for disodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for disodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid is Cc1cncc(-c2cnn(C)c2C(=O)CO)n1.Cc1cncc(-c2cnn(C)c2C(=O)[O-])n1.Cc1nc(-c2cnn(C)c2C(=O)CO)cs1.Cc1nnc(-c2cnn(C)c2C(=O)O)s1.Cn1ncc(-c2cccc(OCO)n2)c1C(=O)CO.Cn1ncc(-c2cccc(OCO)n2)c1C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid?
The InChIKey is RHSJPEOOEPAYCI-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H13N3O4.C11H12N4O2.C11H11N3O4.C10H10N4O2.C10H11N3O2S.C8H8N4O2S.2Na/c1-15-12(10(18)6-16)8(5-13-15)9-3-2-4-11(14-9)19-7-17;1-7-3-12-5-9(14-7)8-4-13-15(2)11(8)10(17)6-16;1-14-10(11(16)17)7(5-12-14)8-3-2-4-9(13-8)18-6-15;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;1-4-10-11-7(15-4)5-3-9-12(2)6(5)8(13)14;;/h2-5,16-17H,6-7H2,1H3;3-5,16H,6H2,1-2H3;2-5,15H,6H2,1H3,(H,16,17);3-5H,1-2H3,(H,15,16);3,5,14H,4H2,1-2H3;3H,1-2H3,(H,13,14);;/q;;;;;;2*+1/p-2.
What are the key properties of disodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid?
disodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid has a molecular weight of 1468.43 g/mol, XLogP of -4.95, 19 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-hydroxy-1-[4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazol-5-yl]ethanone;4-[6-(hydroxymethoxy)-2-pyridinyl]-1-methylpyrazole-5-carboxylate;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;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 160629352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).