2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one

C26H20N6O — CID 46897295

About 2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one

2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one (PubChem CID 46897295) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

• Compound Name: 2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
• PubChem CID: 46897295
• Molecular Formula: C26H20N6O
• Molecular Weight: 432.49 g/mol
• Exact Mass: 432.17
• IUPAC Name: 2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
• SMILES: Cc1ccccc1-n1nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)nc-2c1=O
• InChI: InChI=1S/C26H20N6O/c1-18-7-2-4-9-22(18)32-26(33)25-24(29-32)21-8-3-5-10-23(21)31(28-25)17-19-11-13-20(14-12-19)30-16-6-15-27-30/h2-16H,17H2,1H3
• InChIKey: QZFGDVSTXSZRDJ-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 70.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.49
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?

The IUPAC name of 2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one (CID 46897295) is 2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one.

What is the SMILES notation for 2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?

The canonical SMILES for 2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one is Cc1ccccc1-n1nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)nc-2c1=O.

What is the InChIKey of 2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?

The InChIKey is QZFGDVSTXSZRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c1-18-7-2-4-9-22(18)32-26(33)25-24(29-32)21-8-3-5-10-23(21)31(28-25)17-19-11-13-20(14-12-19)30-16-6-15-27-30/h2-16H,17H2,1H3.

What are the key properties of 2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?

2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 432.49 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 46897295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).