2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide

C16H20N4O2S — CID 124801526

About 2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 124801526) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide
• PubChem CID: 124801526
• Molecular Formula: C16H20N4O2S
• Molecular Weight: 332.43 g/mol
• Exact Mass: 332.13
• IUPAC Name: 2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide
• SMILES: CC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCCc2cccs2)C1
• InChI: InChI=1S/C16H20N4O2S/c1-12(21)19-10-13-4-7-18-20(13)14(11-19)9-16(22)17-6-5-15-3-2-8-23-15/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,17,22)/t14-/m0/s1
• InChIKey: QJQVMRIOZVTJFF-AWEZNQCLSA-N
• XLogP: 1.60
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.43
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide?

The IUPAC name of 2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 124801526) is 2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide.

What is the SMILES notation for 2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide?

The canonical SMILES for 2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide is CC(=O)N1Cc2ccnn2[C@@H](CC(=O)NCCc2cccs2)C1.

What is the InChIKey of 2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide?

The InChIKey is QJQVMRIOZVTJFF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12(21)19-10-13-4-7-18-20(13)14(11-19)9-16(22)17-6-5-15-3-2-8-23-15/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,17,22)/t14-/m0/s1.

What are the key properties of 2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide?

2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7S)-5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 124801526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).