dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane

C41H47K2N13O9Si — CID 161346938

IUPACdipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane
SMILESCCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1ccc(C#N)cn1.C[Si](C)(C)[O-].Cc1cc(C(=O)[O-])n(-c2ccc(C#N)cn2)n1.N#Cc1ccc(NN)nc1.[K+].[K+]
InChIInChI=1S/C13H12N4O2.C11H8N4O2.C8H13NO4.C6H6N4.C3H9OSi.2K/c1-3-19-13(18)11-6-9(2)16-17(11)12-5-4-10(7-14)8-15-12;1-7-4-9(11(16)17)15(14-7)10-3-2-8(5-12)6-13-10;1-4-13-8(11)7(9-12-3)5-6(2)10;7-3-5-1-2-6(10-8)9-4-5;1-5(2,3)4;;/h4-6,8H,3H2,1-2H3;2-4,6H,1H3,(H,16,17);4-5H2,1-3H3;1-2,4H,8H2,(H,9,10);1-3H3;;/q;;;;-1;2*+1/p-1
InChIKeyVNKVJDGUNRYTON-UHFFFAOYSA-M
MW972.19 g/mol
LogP-3.61
Rot. Bonds11

About dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane

dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane (PubChem CID 161346938) has the molecular formula C41H47K2N13O9Si and a molecular weight of 972.19 g/mol. Its IUPAC name is dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane.

Molecular Properties

Compound Namedipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane
PubChem CID161346938
Molecular FormulaC41H47K2N13O9Si
Molecular Weight972.19 g/mol
Exact Mass971.27
IUPAC Namedipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane
SMILESCCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1ccc(C#N)cn1.C[Si](C)(C)[O-].Cc1cc(C(=O)[O-])n(-c2ccc(C#N)cn2)n1.N#Cc1ccc(NN)nc1.[K+].[K+]
InChIInChI=1S/C13H12N4O2.C11H8N4O2.C8H13NO4.C6H6N4.C3H9OSi.2K/c1-3-19-13(18)11-6-9(2)16-17(11)12-5-4-10(7-14)8-15-12;1-7-4-9(11(16)17)15(14-7)10-3-2-8(5-12)6-13-10;1-4-13-8(11)7(9-12-3)5-6(2)10;7-3-5-1-2-6(10-8)9-4-5;1-5(2,3)4;;/h4-6,8H,3H2,1-2H3;2-4,6H,1H3,(H,16,17);4-5H2,1-3H3;1-2,4H,8H2,(H,9,10);1-3H3;;/q;;;;-1;2*+1/p-1
InChIKeyVNKVJDGUNRYTON-UHFFFAOYSA-M
XLogP-3.61
TPSA338.18 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.19
LogP ≤ 5-3.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane with MolForge

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Launch Full Analysis

Related Compounds

Lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;(5-methyl-2-pyridinyl)hydrazine;5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide
CID 159507902
Lithium;(4,6-dimethyl-2-pyridinyl)hydrazine;2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;ethyl 2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxylate;methane;methyl 2-methoxyimino-4-oxopentanoate;hydroxide;hydrate
CID 157647846
Lithium;ethyl 2-isoquinolin-1-yl-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;isoquinolin-1-ylhydrazine;2-isoquinolin-1-yl-5-methylpyrazole-3-carboxylic acid;hydroxide
CID 159253806
CID 159695466
CID 159695466
Lithium;(4,6-dimethyl-2-pyridinyl)hydrazine;2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;ethyl 2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;hydroxide
CID 160977570
Lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxylate;5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(5-methyl-2-pyridinyl)hydrazine;hydroxide
CID 162183429
Lithium;methyl 2,4-dioxopentanoate;methyl 5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxylate;5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(3-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate;hydrochloride
CID 167654055
Dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;methane;trimethyl(oxido)silane
CID 167673264

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane?
The IUPAC name of dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane (CID 161346938) is dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane.
What is the SMILES notation for dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane?
The canonical SMILES for dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane is CCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1ccc(C#N)cn1.C[Si](C)(C)[O-].Cc1cc(C(=O)[O-])n(-c2ccc(C#N)cn2)n1.N#Cc1ccc(NN)nc1.[K+].[K+].
What is the InChIKey of dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane?
The InChIKey is VNKVJDGUNRYTON-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N4O2.C11H8N4O2.C8H13NO4.C6H6N4.C3H9OSi.2K/c1-3-19-13(18)11-6-9(2)16-17(11)12-5-4-10(7-14)8-15-12;1-7-4-9(11(16)17)15(14-7)10-3-2-8(5-12)6-13-10;1-4-13-8(11)7(9-12-3)5-6(2)10;7-3-5-1-2-6(10-8)9-4-5;1-5(2,3)4;;/h4-6,8H,3H2,1-2H3;2-4,6H,1H3,(H,16,17);4-5H2,1-3H3;1-2,4H,8H2,(H,9,10);1-3H3;;/q;;;;-1;2*+1/p-1.
What are the key properties of dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane?
dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane has a molecular weight of 972.19 g/mol, XLogP of -3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-(5-cyano-2-pyridinyl)-5-methylpyrazole-3-carboxylate;ethyl 2-methoxyimino-4-oxopentanoate;6-hydrazinylpyridine-3-carbonitrile;trimethyl(oxido)silane is sourced from PubChem (CID 161346938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).