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

C38H49LiN10O9 — CID 162183429

About 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

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 (PubChem CID 162183429) has the molecular formula C38H49LiN10O9 and a molecular weight of 796.81 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162183429
• Molecular Formula: C38H49LiN10O9
• Molecular Weight: 796.81 g/mol
• Exact Mass: 796.38
• IUPAC Name: 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
• SMILES: CCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1ccc(C)cn1.Cc1ccc(-n2nc(C)cc2C(=O)O)nc1.Cc1ccc(NN)nc1.[Li+].[OH-]
• InChI: InChI=1S/C13H15N3O2.C11H11N3O2.C8H13NO4.C6H9N3.Li.H2O/c1-4-18-13(17)11-7-10(3)15-16(11)12-6-5-9(2)8-14-12;1-7-3-4-10(12-6-7)14-9(11(15)16)5-8(2)13-14;1-4-13-8(11)7(9-12-3)5-6(2)10;1-5-2-3-6(9-7)8-4-5;;/h5-8H,4H2,1-3H3;3-6H,1-2H3,(H,15,16);4-5H2,1-3H3;2-4H,7H2,1H3,(H,8,9);;1H2/q;;;;+1;/p-1
• InChIKey: ZPIQKKZVLHASCM-UHFFFAOYSA-M
• XLogP: 1.68
• TPSA: 270.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.81
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

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'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1ccc(C)cn1.Cc1ccc(-n2nc(C)cc2C(=O)O)nc1.Cc1ccc(NN)nc1.[Li+].[OH-].

What is the InChIKey of 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?

The InChIKey is ZPIQKKZVLHASCM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15N3O2.C11H11N3O2.C8H13NO4.C6H9N3.Li.H2O/c1-4-18-13(17)11-7-10(3)15-16(11)12-6-5-9(2)8-14-12;1-7-3-4-10(12-6-7)14-9(11(15)16)5-8(2)13-14;1-4-13-8(11)7(9-12-3)5-6(2)10;1-5-2-3-6(9-7)8-4-5;;/h5-8H,4H2,1-3H3;3-6H,1-2H3,(H,15,16);4-5H2,1-3H3;2-4H,7H2,1H3,(H,8,9);;1H2/q;;;;+1;/p-1.

What are the key properties of 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?

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 has a molecular weight of 796.81 g/mol, XLogP of 1.68, 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-(5-methyl-2-pyridinyl)pyrazole-3-carboxylate;5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;(5-methyl-2-pyridinyl)hydrazine;hydroxide is sourced from PubChem (CID 162183429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).