5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H20N4O2 — CID 123605403

About 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 123605403) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 123605403
• Molecular Formula: C20H20N4O2
• Molecular Weight: 348.41 g/mol
• Exact Mass: 348.16
• IUPAC Name: 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: CC1CN(Cc2ccccc2)C(=O)c2cc(COc3ccccn3)nn21
• InChI: InChI=1S/C20H20N4O2/c1-15-12-23(13-16-7-3-2-4-8-16)20(25)18-11-17(22-24(15)18)14-26-19-9-5-6-10-21-19/h2-11,15H,12-14H2,1H3
• InChIKey: VBFFPSCUBKAQFH-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.41
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 123605403) is 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC1CN(Cc2ccccc2)C(=O)c2cc(COc3ccccn3)nn21.

What is the InChIKey of 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is VBFFPSCUBKAQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15-12-23(13-16-7-3-2-4-8-16)20(25)18-11-17(22-24(15)18)14-26-19-9-5-6-10-21-19/h2-11,15H,12-14H2,1H3.

What are the key properties of 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 348.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 123605403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).