N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide

C22H20N4O4 — CID 16956857

About N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide

N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide (PubChem CID 16956857) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
• PubChem CID: 16956857
• Molecular Formula: C22H20N4O4
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.15
• IUPAC Name: N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
• SMILES: COc1cc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)cc(OC)c1
• InChI: InChI=1S/C22H20N4O4/c1-29-17-10-16(11-18(12-17)30-2)23-21(27)14-25-8-9-26-20(22(25)28)13-19(24-26)15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,23,27)
• InChIKey: DLYGXROQBGNWSN-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide?

The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide (CID 16956857) is N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide is COc1cc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)cc(OC)c1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide?

The InChIKey is DLYGXROQBGNWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-29-17-10-16(11-18(12-17)30-2)23-21(27)14-25-8-9-26-20(22(25)28)13-19(24-26)15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,23,27).

What are the key properties of N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide?

N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide has a molecular weight of 404.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide is sourced from PubChem (CID 16956857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).