2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide

C23H22N4OS — CID 53334154

About 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide

2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 53334154) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide
• PubChem CID: 53334154
• Molecular Formula: C23H22N4OS
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.15
• IUPAC Name: 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide
• SMILES: Cc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1
• InChI: InChI=1S/C23H22N4OS/c1-15-5-4-6-19(11-15)25-22(28)14-29-23-21-13-20(26-27(21)10-9-24-23)18-8-7-16(2)17(3)12-18/h4-13H,14H2,1-3H3,(H,25,28)
• InChIKey: TVAQBYYGCSOOFQ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide (CID 53334154) is 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide.

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

The canonical SMILES for 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1.

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

The InChIKey is TVAQBYYGCSOOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-15-5-4-6-19(11-15)25-22(28)14-29-23-21-13-20(26-27(21)10-9-24-23)18-8-7-16(2)17(3)12-18/h4-13H,14H2,1-3H3,(H,25,28).

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

2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 53334154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).