sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;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;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 161456347

IUPACsodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;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;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid
SMILESCOc1cccc(-c2cnn(C)c2C(=O)CO)n1.COc1cccc(-c2cnn(C)c2C(=O)[O-])n1.Cc1cncc(-c2cnn(C)c2C(=O)CO)n1.Cc1nc(-c2cnn(C)c2C(=O)CO)cs1.Cc1nnc(-c2cnn(C)c2C(=O)O)s1.[Na+]
InChIInChI=1S/C12H13N3O3.C11H12N4O2.C11H11N3O3.C10H11N3O2S.C8H8N4O2S.Na/c1-15-12(10(17)7-16)8(6-13-15)9-4-3-5-11(14-9)18-2;1-7-3-12-5-9(14-7)8-4-13-15(2)11(8)10(17)6-16;1-14-10(11(15)16)7(6-12-14)8-4-3-5-9(13-8)17-2;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;/h3-6,16H,7H2,1-2H3;3-5,16H,6H2,1-2H3;3-6H,1-2H3,(H,15,16);3,5,14H,4H2,1-2H3;3H,1-2H3,(H,13,14);/q;;;;;+1/p-1
InChIKeyWBEXOCZBQSHPMT-UHFFFAOYSA-M
MW1196.23 g/mol
LogP-0.14
Rot. Bonds15

About sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;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;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-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-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 161456347) 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-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-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 Namesodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;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;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 CID161456347
Molecular FormulaC52H54N17NaO12S2
Molecular Weight1196.23 g/mol
Exact Mass1195.35
IUPAC Namesodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;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;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid
SMILESCOc1cccc(-c2cnn(C)c2C(=O)CO)n1.COc1cccc(-c2cnn(C)c2C(=O)[O-])n1.Cc1cncc(-c2cnn(C)c2C(=O)CO)n1.Cc1nc(-c2cnn(C)c2C(=O)CO)cs1.Cc1nnc(-c2cnn(C)c2C(=O)O)s1.[Na+]
InChIInChI=1S/C12H13N3O3.C11H12N4O2.C11H11N3O3.C10H11N3O2S.C8H8N4O2S.Na/c1-15-12(10(17)7-16)8(6-13-15)9-4-3-5-11(14-9)18-2;1-7-3-12-5-9(14-7)8-4-13-15(2)11(8)10(17)6-16;1-14-10(11(15)16)7(6-12-14)8-4-3-5-9(13-8)17-2;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;/h3-6,16H,7H2,1-2H3;3-5,16H,6H2,1-2H3;3-6H,1-2H3,(H,15,16);3,5,14H,4H2,1-2H3;3H,1-2H3,(H,13,14);/q;;;;;+1/p-1
InChIKeyWBEXOCZBQSHPMT-UHFFFAOYSA-M
XLogP-0.14
TPSA387.12 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001196.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

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

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Related Compounds

Sodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
CID 159752123
Disodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
CID 159779400
Sodium;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
CID 159847332
Sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
CID 161305041
2-[5-[5-(5-Butylthiophen-2-yl)-2-pyridinyl]pyrazol-1-id-3-yl]-1,3-thiazole;2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(2+);isothiocyanate
CID 140822250
Sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-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 157331190
2-(6,13-Dioxo-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)acetamide;2-(6,13-dioxo-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)acetic acid;3-(6,13-dioxo-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)propanamide;3-(6,13-dioxo-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)propanoic acid;ethyl 3-(6,13-dioxo-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaen-10-yl)propanoate;10-(2-hydroxyethyl)-17,20-dioxa-3-thia-7,10,11,22,26-pentazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione
CID 157961952
Disodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylate;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid
CID 158131595
1-[4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid
CID 158188077
Sodium;4-(3-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile
CID 158614120
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
4-[4-(Difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid
CID 159760346

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-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-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-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-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 161456347) is sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;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;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-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-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-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-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.Cc1cncc(-c2cnn(C)c2C(=O)CO)n1.Cc1nc(-c2cnn(C)c2C(=O)CO)cs1.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-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-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 WBEXOCZBQSHPMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13N3O3.C11H12N4O2.C11H11N3O3.C10H11N3O2S.C8H8N4O2S.Na/c1-15-12(10(17)7-16)8(6-13-15)9-4-3-5-11(14-9)18-2;1-7-3-12-5-9(14-7)8-4-13-15(2)11(8)10(17)6-16;1-14-10(11(15)16)7(6-12-14)8-4-3-5-9(13-8)17-2;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;/h3-6,16H,7H2,1-2H3;3-5,16H,6H2,1-2H3;3-6H,1-2H3,(H,15,16);3,5,14H,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-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-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-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-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-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-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 161456347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).