lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate

C56H61LiN12O10 — CID 164978180

IUPAClithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate
SMILESCCOC(=O)c1cc(C)nn1-c1cccc2ncccc12.CO.Cc1cc(C(=O)O)n(-c2cccc3ncccc23)n1.NNc1cccc2ncccc12.Nc1cccc2ncccc12.O.[H]/N=C(\CC(C)=O)C(=O)OCC.[Li+].[OH-]
InChIInChI=1S/C16H15N3O2.C14H11N3O2.C9H9N3.C9H8N2.C7H11NO3.CH4O.Li.2H2O/c1-3-21-16(20)15-10-11(2)18-19(15)14-8-4-7-13-12(14)6-5-9-17-13;1-9-8-13(14(18)19)17(16-9)12-6-2-5-11-10(12)4-3-7-15-11;10-12-9-5-1-4-8-7(9)3-2-6-11-8;10-8-4-1-5-9-7(8)3-2-6-11-9;1-3-11-7(10)6(8)4-5(2)9;1-2;;;/h4-10H,3H2,1-2H3;2-8H,1H3,(H,18,19);1-6,12H,10H2;1-6H,10H2;8H,3-4H2,1-2H3;2H,1H3;;2*1H2/q;;;;;;+1;;/p-1/b;;;;8-6+;;;;
InChIKeyYYFXBEZEYCSMFL-XMLPAELWSA-M
MW1069.12 g/mol
LogP4.83
Rot. Bonds10

About lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate

lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate (PubChem CID 164978180) has the molecular formula C56H61LiN12O10 and a molecular weight of 1069.12 g/mol. Its IUPAC name is lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate
PubChem CID164978180
Molecular FormulaC56H61LiN12O10
Molecular Weight1069.12 g/mol
Exact Mass1068.48
IUPAC Namelithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate
SMILESCCOC(=O)c1cc(C)nn1-c1cccc2ncccc12.CO.Cc1cc(C(=O)O)n(-c2cccc3ncccc23)n1.NNc1cccc2ncccc12.Nc1cccc2ncccc12.O.[H]/N=C(\CC(C)=O)C(=O)OCC.[Li+].[OH-]
InChIInChI=1S/C16H15N3O2.C14H11N3O2.C9H9N3.C9H8N2.C7H11NO3.CH4O.Li.2H2O/c1-3-21-16(20)15-10-11(2)18-19(15)14-8-4-7-13-12(14)6-5-9-17-13;1-9-8-13(14(18)19)17(16-9)12-6-2-5-11-10(12)4-3-7-15-11;10-12-9-5-1-4-8-7(9)3-2-6-11-8;10-8-4-1-5-9-7(8)3-2-6-11-9;1-3-11-7(10)6(8)4-5(2)9;1-2;;;/h4-10H,3H2,1-2H3;2-8H,1H3,(H,18,19);1-6,12H,10H2;1-6H,10H2;8H,3-4H2,1-2H3;2H,1H3;;2*1H2/q;;;;;;+1;;/p-1/b;;;;8-6+;;;;
InChIKeyYYFXBEZEYCSMFL-XMLPAELWSA-M
XLogP4.83
TPSA363.82 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.12
LogP ≤ 54.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate with MolForge

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Launch Full Analysis

Related Compounds

2-Chloroquinazoline;ethyl 2,4-dioxopentanoate;ethyl 5-methyl-1-quinazolin-2-ylpyrazole-3-carboxylate;ethyl 5-methyl-2-quinazolin-2-ylpyrazole-3-carboxylate;hydrazine;quinazolin-2-ylhydrazine;hydrate
CID 157979050
lithium;N-aminochloranuidylquinolin-5-amine;ethyl 2-methyl-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;N-methoxymethanamine;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;hydroxide;hydrate
CID 159220023
Ethyl 2,4-dioxo-4-phenylbutanoate;ethyl 1-methyl-3-phenylpyrazole-5-carboxylate;[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(1-methyl-3-phenylpyrazol-5-yl)propan-1-one;1-methyl-3-phenylpyrazole-5-carboxylic acid
CID 159252603
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
Ethyl 2,4-dioxo-4-phenylbutanoate;ethyl 1-methyl-5-phenylpyrazole-3-carboxylate;[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(1-methyl-5-phenylpyrazol-3-yl)propan-1-one;1-methyl-5-phenylpyrazole-3-carboxylic acid
CID 159903158
Lithium;ethyl 2-[(methoxyamino)methyl]-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate
CID 160441166
Ethyl 2,4-dioxopentanoate;ethyl 2-isoquinolin-4-yl-5-methylpyrazole-3-carboxylate;isoquinolin-4-ylhydrazine;2-isoquinolin-4-yl-5-methylpyrazole-3-carboxylic acid;methane
CID 160646251
Lithium;ethyl 2,4-dioxopentanoate;ethyl 2-isoquinolin-4-yl-5-methylpyrazole-3-carboxylate;isoquinolin-4-ylhydrazine;2-isoquinolin-4-yl-5-methylpyrazole-3-carboxylic acid;hydroxide;hydrate
CID 165066591

Frequently Asked Questions

What is the IUPAC name of lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate?
The IUPAC name of lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate (CID 164978180) is lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate.
What is the SMILES notation for lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate?
The canonical SMILES for lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate is CCOC(=O)c1cc(C)nn1-c1cccc2ncccc12.CO.Cc1cc(C(=O)O)n(-c2cccc3ncccc23)n1.NNc1cccc2ncccc12.Nc1cccc2ncccc12.O.[H]/N=C(\CC(C)=O)C(=O)OCC.[Li+].[OH-].
What is the InChIKey of lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate?
The InChIKey is YYFXBEZEYCSMFL-XMLPAELWSA-M. The full InChI is InChI=1S/C16H15N3O2.C14H11N3O2.C9H9N3.C9H8N2.C7H11NO3.CH4O.Li.2H2O/c1-3-21-16(20)15-10-11(2)18-19(15)14-8-4-7-13-12(14)6-5-9-17-13;1-9-8-13(14(18)19)17(16-9)12-6-2-5-11-10(12)4-3-7-15-11;10-12-9-5-1-4-8-7(9)3-2-6-11-8;10-8-4-1-5-9-7(8)3-2-6-11-9;1-3-11-7(10)6(8)4-5(2)9;1-2;;;/h4-10H,3H2,1-2H3;2-8H,1H3,(H,18,19);1-6,12H,10H2;1-6H,10H2;8H,3-4H2,1-2H3;2H,1H3;;2*1H2/q;;;;;;+1;;/p-1/b;;;;8-6+;;;;.
What are the key properties of lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate?
lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate has a molecular weight of 1069.12 g/mol, XLogP of 4.83, 10 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethyl 2-imino-4-oxopentanoate;ethyl 5-methyl-2-quinolin-5-ylpyrazole-3-carboxylate;methanol;5-methyl-2-quinolin-5-ylpyrazole-3-carboxylic acid;quinolin-5-amine;quinolin-5-ylhydrazine;hydroxide;hydrate is sourced from PubChem (CID 164978180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).