2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide

C25H26N4O2S — CID 53334376

About 2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide

2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 53334376) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
• PubChem CID: 53334376
• Molecular Formula: C25H26N4O2S
• Molecular Weight: 446.58 g/mol
• Exact Mass: 446.18
• IUPAC Name: 2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
• SMILES: CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C(C)C)c4)nccn3n2)cc1
• InChI: InChI=1S/C25H26N4O2S/c1-4-31-21-10-8-18(9-11-21)22-15-23-25(26-12-13-29(23)28-22)32-16-24(30)27-20-7-5-6-19(14-20)17(2)3/h5-15,17H,4,16H2,1-3H3,(H,27,30)
• InChIKey: LTXIQIFQYWVGSA-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.58
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide (CID 53334376) is 2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide is CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C(C)C)c4)nccn3n2)cc1.

What is the InChIKey of 2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide?

The InChIKey is LTXIQIFQYWVGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-4-31-21-10-8-18(9-11-21)22-15-23-25(26-12-13-29(23)28-22)32-16-24(30)27-20-7-5-6-19(14-20)17(2)3/h5-15,17H,4,16H2,1-3H3,(H,27,30).

What are the key properties of 2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide?

2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 446.58 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 53334376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).