1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one

C21H22N4O3 — CID 131693666

About 1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one

1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one (PubChem CID 131693666) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
• PubChem CID: 131693666
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: 1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
• SMILES: Cc1c(C(=O)N2Cc3ccnn3C(CN3CCCC3=O)C2)oc2ccccc12
• InChI: InChI=1S/C21H22N4O3/c1-14-17-5-2-3-6-18(17)28-20(14)21(27)24-11-15-8-9-22-25(15)16(13-24)12-23-10-4-7-19(23)26/h2-3,5-6,8-9,16H,4,7,10-13H2,1H3
• InChIKey: AGIWUKZYCJDPSU-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 71.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?

The IUPAC name of 1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one (CID 131693666) is 1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?

The canonical SMILES for 1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one is Cc1c(C(=O)N2Cc3ccnn3C(CN3CCCC3=O)C2)oc2ccccc12.

What is the InChIKey of 1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?

The InChIKey is AGIWUKZYCJDPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-17-5-2-3-6-18(17)28-20(14)21(27)24-11-15-8-9-22-25(15)16(13-24)12-23-10-4-7-19(23)26/h2-3,5-6,8-9,16H,4,7,10-13H2,1H3.

What are the key properties of 1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one?

1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one has a molecular weight of 378.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 131693666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).