5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one

C22H16ClN5O2 — CID 27372325

About 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one

5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372325) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 27372325
• Molecular Formula: C22H16ClN5O2
• Molecular Weight: 417.86 g/mol
• Exact Mass: 417.10
• IUPAC Name: 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
• SMILES: Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)ccn3n2)cc1
• InChI: InChI=1S/C22H16ClN5O2/c1-14-2-4-15(5-3-14)18-12-19-22(29)27(10-11-28(19)25-18)13-20-24-21(26-30-20)16-6-8-17(23)9-7-16/h2-12H,13H2,1H3
• InChIKey: CEPNXMOXMSZJHI-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 78.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.86
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 27372325) is 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)ccn3n2)cc1.

What is the InChIKey of 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is CEPNXMOXMSZJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c1-14-2-4-15(5-3-14)18-12-19-22(29)27(10-11-28(19)25-18)13-20-24-21(26-30-20)16-6-8-17(23)9-7-16/h2-12H,13H2,1H3.

What are the key properties of 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?

5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 417.86 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).