lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate

C41H48F9LiN10O10 — CID 167704240

IUPAClithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate
SMILESCCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1cc(C(F)(F)F)cc(C)n1.Cc1cc(C(F)(F)F)cc(-n2nc(C)cc2C(=O)O)n1.Cc1cc(C(F)(F)F)cc(NN)n1.O.[Li+].[OH-]
InChIInChI=1S/C14H14F3N3O2.C12H10F3N3O2.C8H13NO4.C7H8F3N3.Li.2H2O/c1-4-22-13(21)11-6-9(3)19-20(11)12-7-10(14(15,16)17)5-8(2)18-12;1-6-3-8(12(13,14)15)5-10(16-6)18-9(11(19)20)4-7(2)17-18;1-4-13-8(11)7(9-12-3)5-6(2)10;1-4-2-5(7(8,9)10)3-6(12-4)13-11;;;/h5-7H,4H2,1-3H3;3-5H,1-2H3,(H,19,20);4-5H2,1-3H3;2-3H,11H2,1H3,(H,12,13);;2*1H2/q;;;;+1;;/p-1
InChIKeyQPCXFGVYLOXQFC-UHFFFAOYSA-M
MW1018.82 g/mol
LogP3.91
Rot. Bonds11

About lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate

lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate (PubChem CID 167704240) has the molecular formula C41H48F9LiN10O10 and a molecular weight of 1018.82 g/mol. Its IUPAC name is lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate
PubChem CID167704240
Molecular FormulaC41H48F9LiN10O10
Molecular Weight1018.82 g/mol
Exact Mass1018.36
IUPAC Namelithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate
SMILESCCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1cc(C(F)(F)F)cc(C)n1.Cc1cc(C(F)(F)F)cc(-n2nc(C)cc2C(=O)O)n1.Cc1cc(C(F)(F)F)cc(NN)n1.O.[Li+].[OH-]
InChIInChI=1S/C14H14F3N3O2.C12H10F3N3O2.C8H13NO4.C7H8F3N3.Li.2H2O/c1-4-22-13(21)11-6-9(3)19-20(11)12-7-10(14(15,16)17)5-8(2)18-12;1-6-3-8(12(13,14)15)5-10(16-6)18-9(11(19)20)4-7(2)17-18;1-4-13-8(11)7(9-12-3)5-6(2)10;1-4-2-5(7(8,9)10)3-6(12-4)13-11;;;/h5-7H,4H2,1-3H3;3-5H,1-2H3,(H,19,20);4-5H2,1-3H3;2-3H,11H2,1H3,(H,12,13);;2*1H2/q;;;;+1;;/p-1
InChIKeyQPCXFGVYLOXQFC-UHFFFAOYSA-M
XLogP3.91
TPSA302.42 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.82
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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;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;methanediol;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate
CID 162191615
Lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;hydrazine;(6-methyl-2-pyridinyl)hydrazine;5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide;hydrate
CID 162212173
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;2-chloro-6-methylpyridine;ethyl 2-[(methoxyamino)methyl]-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate
CID 160089607
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;ethane;ethyl 2-(methoxyamino)-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide
CID 162249515
Lithium;2-chloro-6-methylpyridine;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylate;hydrazine;5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(6-methyl-2-pyridinyl)hydrazine;hydroxide;hydrate
CID 164994993
Lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylate;(6-methoxy-2-pyridinyl)hydrazine;2-(6-methoxy-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid;hydroxide
CID 164996206

Frequently Asked Questions

What is the IUPAC name of lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate?
The IUPAC name of lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate (CID 167704240) is lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate.
What is the SMILES notation for lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate?
The canonical SMILES for lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate is CCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1cc(C(F)(F)F)cc(C)n1.Cc1cc(C(F)(F)F)cc(-n2nc(C)cc2C(=O)O)n1.Cc1cc(C(F)(F)F)cc(NN)n1.O.[Li+].[OH-].
What is the InChIKey of lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate?
The InChIKey is QPCXFGVYLOXQFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14F3N3O2.C12H10F3N3O2.C8H13NO4.C7H8F3N3.Li.2H2O/c1-4-22-13(21)11-6-9(3)19-20(11)12-7-10(14(15,16)17)5-8(2)18-12;1-6-3-8(12(13,14)15)5-10(16-6)18-9(11(19)20)4-7(2)17-18;1-4-13-8(11)7(9-12-3)5-6(2)10;1-4-2-5(7(8,9)10)3-6(12-4)13-11;;;/h5-7H,4H2,1-3H3;3-5H,1-2H3,(H,19,20);4-5H2,1-3H3;2-3H,11H2,1H3,(H,12,13);;2*1H2/q;;;;+1;;/p-1.
What are the key properties of lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate?
lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate has a molecular weight of 1018.82 g/mol, XLogP of 3.91, 11 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydroxide;hydrate is sourced from PubChem (CID 167704240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).