3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine

C26H21FN4O — CID 164946027

About 3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine

3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (PubChem CID 164946027) has the molecular formula C26H21FN4O and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.

Molecular Properties

• Compound Name: 3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
• PubChem CID: 164946027
• Molecular Formula: C26H21FN4O
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.17
• IUPAC Name: 3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
• SMILES: COc1cccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(F)cc3)C2)c1
• InChI: InChI=1S/C26H21FN4O/c1-32-22-9-5-8-20(16-22)24-17-25(19-10-12-21(27)13-11-19)31(30-24)26-15-14-23(28-29-26)18-6-3-2-4-7-18/h2-16,25H,17H2,1H3
• InChIKey: OIURDYSAUDQUGF-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 50.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?

The IUPAC name of 3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (CID 164946027) is 3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.

What is the SMILES notation for 3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?

The canonical SMILES for 3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is COc1cccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(F)cc3)C2)c1.

What is the InChIKey of 3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?

The InChIKey is OIURDYSAUDQUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O/c1-32-22-9-5-8-20(16-22)24-17-25(19-10-12-21(27)13-11-19)31(30-24)26-15-14-23(28-29-26)18-6-3-2-4-7-18/h2-16,25H,17H2,1H3.

What are the key properties of 3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?

3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine has a molecular weight of 424.48 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is sourced from PubChem (CID 164946027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).