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

C21H17FN4O2 — CID 50795616

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

N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide (PubChem CID 50795616) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
• PubChem CID: 50795616
• Molecular Formula: C21H17FN4O2
• Molecular Weight: 376.39 g/mol
• Exact Mass: 376.13
• IUPAC Name: N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
• SMILES: Cc1ccc(F)cc1NC(=O)Cn1ccn2nc(-c3ccccc3)cc2c1=O
• InChI: InChI=1S/C21H17FN4O2/c1-14-7-8-16(22)11-17(14)23-20(27)13-25-9-10-26-19(21(25)28)12-18(24-26)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,27)
• InChIKey: GABWXJIONCNXDL-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 68.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.39
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide (CID 50795616) is N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide.

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

The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide is Cc1ccc(F)cc1NC(=O)Cn1ccn2nc(-c3ccccc3)cc2c1=O.

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

The InChIKey is GABWXJIONCNXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-14-7-8-16(22)11-17(14)23-20(27)13-25-9-10-26-19(21(25)28)12-18(24-26)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,27).

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

N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide has a molecular weight of 376.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide is sourced from PubChem (CID 50795616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).