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

C38H43F6LiN10O9 — CID 159507902

About 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

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 (PubChem CID 159507902) has the molecular formula C38H43F6LiN10O9 and a molecular weight of 904.75 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159507902
• Molecular Formula: C38H43F6LiN10O9
• Molecular Weight: 904.75 g/mol
• Exact Mass: 904.33
• IUPAC Name: 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
• SMILES: CCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1ccc(C(F)(F)F)cn1.Cc1cc(C(=O)O)n(-c2ccc(C(F)(F)F)cn2)n1.Cc1ccc(NN)nc1.[Li+].[OH-]
• InChI: InChI=1S/C13H12F3N3O2.C11H8F3N3O2.C8H13NO4.C6H9N3.Li.H2O/c1-3-21-12(20)10-6-8(2)18-19(10)11-5-4-9(7-17-11)13(14,15)16;1-6-4-8(10(18)19)17(16-6)9-3-2-7(5-15-9)11(12,13)14;1-4-13-8(11)7(9-12-3)5-6(2)10;1-5-2-3-6(9-7)8-4-5;;/h4-7H,3H2,1-2H3;2-5H,1H3,(H,18,19);4-5H2,1-3H3;2-4H,7H2,1H3,(H,8,9);;1H2/q;;;;+1;/p-1
• InChIKey: MAFPUXDHMFNEOU-UHFFFAOYSA-M
• XLogP: 3.10
• TPSA: 270.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	904.75
LogP ≤ 5	3.10
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-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;(5-methyl-2-pyridinyl)hydrazine;5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCOC(=O)C(CC(C)=O)=NOC.CCOC(=O)c1cc(C)nn1-c1ccc(C(F)(F)F)cn1.Cc1cc(C(=O)O)n(-c2ccc(C(F)(F)F)cn2)n1.Cc1ccc(NN)nc1.[Li+].[OH-].

What is the InChIKey of 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?

The InChIKey is MAFPUXDHMFNEOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12F3N3O2.C11H8F3N3O2.C8H13NO4.C6H9N3.Li.H2O/c1-3-21-12(20)10-6-8(2)18-19(10)11-5-4-9(7-17-11)13(14,15)16;1-6-4-8(10(18)19)17(16-6)9-3-2-7(5-15-9)11(12,13)14;1-4-13-8(11)7(9-12-3)5-6(2)10;1-5-2-3-6(9-7)8-4-5;;/h4-7H,3H2,1-2H3;2-5H,1H3,(H,18,19);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-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;(5-methyl-2-pyridinyl)hydrazine;5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide?

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 has a molecular weight of 904.75 g/mol, XLogP of 3.10, 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-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;(5-methyl-2-pyridinyl)hydrazine;5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide is sourced from PubChem (CID 159507902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).