ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate

C32H32F2N4O6 — CID 163821367

About ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate

ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate (PubChem CID 163821367) has the molecular formula C32H32F2N4O6 and a molecular weight of 606.63 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate
• PubChem CID: 163821367
• Molecular Formula: C32H32F2N4O6
• Molecular Weight: 606.63 g/mol
• Exact Mass: 606.23
• IUPAC Name: ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate
• SMILES: CCOC(=O)C1CN(C2CC2)N=C(c2ccc(F)cc2)C1=O.CCOC(=O)c1cn(C2CC2)nc(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C16H17FN2O3.C16H15FN2O3/c2*1-2-22-16(21)13-9-19(12-7-8-12)18-14(15(13)20)10-3-5-11(17)6-4-10/h3-6,12-13H,2,7-9H2,1H3;3-6,9,12H,2,7-8H2,1H3
• InChIKey: NVRPXGNVTDIKFT-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 120.16 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.63
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate?

The IUPAC name of ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate (CID 163821367) is ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate.

What is the SMILES notation for ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate?

The canonical SMILES for ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate is CCOC(=O)C1CN(C2CC2)N=C(c2ccc(F)cc2)C1=O.CCOC(=O)c1cn(C2CC2)nc(-c2ccc(F)cc2)c1=O.

What is the InChIKey of ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate?

The InChIKey is NVRPXGNVTDIKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3.C16H15FN2O3/c2*1-2-22-16(21)13-9-19(12-7-8-12)18-14(15(13)20)10-3-5-11(17)6-4-10/h3-6,12-13H,2,7-9H2,1H3;3-6,9,12H,2,7-8H2,1H3.

What are the key properties of ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate?

ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate has a molecular weight of 606.63 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxo-3,4-dihydropyridazine-4-carboxylate;ethyl 2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylate is sourced from PubChem (CID 163821367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).