Ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine

C₁₉H₂₃N₇O₄ — CID 159341662

About Ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine

Ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine (PubChem CID 159341662) has the molecular formula C₁₉H₂₃N₇O₄ and a molecular weight of 413.44 g/mol. Its IUPAC name is ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine.

Molecular Properties

• Compound Name: Ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine
• PubChem CID: 159341662
• Molecular Formula: C₁₉H₂₃N₇O₄
• Molecular Weight: 413.44 g/mol
• Exact Mass: 413.18
• IUPAC Name: ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine
• SMILES: CC(C=O)C=O.CCOC(=O)c1cnn(-c2cccnc2)c1.NNc1ccnnc1
• InChI: InChI=1S/C11H11N3O2.C4H6N4.C4H6O2/c1-2-16-11(15)9-6-13-14(8-9)10-4-3-5-12-7-10;5-8-4-1-2-6-7-3-4;1-4(2-5)3-6/h3-8H,2H2,1H3;1-3H,5H2,(H,6,8);2-4H,1H3
• InChIKey: LGFHPWRGALVXSV-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 154.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.44
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine?

The IUPAC name of Ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine (CID 159341662) is ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine.

What is the SMILES notation for Ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine?

The canonical SMILES for Ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine is CC(C=O)C=O.CCOC(=O)c1cnn(-c2cccnc2)c1.NNc1ccnnc1.

What is the InChIKey of Ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine?

The InChIKey is LGFHPWRGALVXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2.C4H6N4.C4H6O2/c1-2-16-11(15)9-6-13-14(8-9)10-4-3-5-12-7-10;5-8-4-1-2-6-7-3-4;1-4(2-5)3-6/h3-8H,2H2,1H3;1-3H,5H2,(H,6,8);2-4H,1H3.

What are the key properties of Ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine?

Ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine has a molecular weight of 413.44 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 1-pyridin-3-ylpyrazole-4-carboxylate;2-methylpropanedial;pyridazin-4-ylhydrazine is sourced from PubChem (CID 159341662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159341662 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.