2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide

C23H21ClN4OS — CID 4254449

About 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide

2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 4254449) has the molecular formula C23H21ClN4OS and a molecular weight of 436.97 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide
• PubChem CID: 4254449
• Molecular Formula: C23H21ClN4OS
• Molecular Weight: 436.97 g/mol
• Exact Mass: 436.11
• IUPAC Name: 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide
• SMILES: Cc1cc(SCC(=O)Nc2ccccc2C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
• InChI: InChI=1S/C23H21ClN4OS/c1-14-6-4-5-7-19(14)26-20(29)13-30-21-12-15(2)25-23-22(16(3)27-28(21)23)17-8-10-18(24)11-9-17/h4-12H,13H2,1-3H3,(H,26,29)
• InChIKey: GGZXJPRJLJTZTL-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.97
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide?

The IUPAC name of 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide (CID 4254449) is 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide.

What is the SMILES notation for 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide?

The canonical SMILES for 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide is Cc1cc(SCC(=O)Nc2ccccc2C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.

What is the InChIKey of 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide?

The InChIKey is GGZXJPRJLJTZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4OS/c1-14-6-4-5-7-19(14)26-20(29)13-30-21-12-15(2)25-23-22(16(3)27-28(21)23)17-8-10-18(24)11-9-17/h4-12H,13H2,1-3H3,(H,26,29).

What are the key properties of 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide?

2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 436.97 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 4254449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).