1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one

C23H21FN4O — CID 16847039

About 1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one

1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 16847039) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
• PubChem CID: 16847039
• Molecular Formula: C23H21FN4O
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.17
• IUPAC Name: 1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
• SMILES: CC(C)c1nn(C/C=C/c2ccccc2)c(=O)c2c1cnn2-c1ccc(F)cc1
• InChI: InChI=1S/C23H21FN4O/c1-16(2)21-20-15-25-28(19-12-10-18(24)11-13-19)22(20)23(29)27(26-21)14-6-9-17-7-4-3-5-8-17/h3-13,15-16H,14H2,1-2H3/b9-6+
• InChIKey: PTPNGUDTPSAGMJ-RMKNXTFCSA-N
• XLogP: 4.56
• TPSA: 52.71 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.45
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?

The IUPAC name of 1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one (CID 16847039) is 1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one.

What is the SMILES notation for 1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?

The canonical SMILES for 1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one is CC(C)c1nn(C/C=C/c2ccccc2)c(=O)c2c1cnn2-c1ccc(F)cc1.

What is the InChIKey of 1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?

The InChIKey is PTPNGUDTPSAGMJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-16(2)21-20-15-25-28(19-12-10-18(24)11-13-19)22(20)23(29)27(26-21)14-6-9-17-7-4-3-5-8-17/h3-13,15-16H,14H2,1-2H3/b9-6+.

What are the key properties of 1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?

1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 388.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-6-[(E)-3-phenylprop-2-enyl]-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 16847039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).