N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide

C26H29ClN4O2 — CID 137444037

About N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide

N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 137444037) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
• PubChem CID: 137444037
• Molecular Formula: C26H29ClN4O2
• Molecular Weight: 465.00 g/mol
• Exact Mass: 464.20
• IUPAC Name: N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
• SMILES: CCCCCC1CN(CC(=O)NCc2ccccc2)C(=O)c2cc(-c3ccc(Cl)cc3)nn21
• InChI: InChI=1S/C26H29ClN4O2/c1-2-3-5-10-22-17-30(18-25(32)28-16-19-8-6-4-7-9-19)26(33)24-15-23(29-31(22)24)20-11-13-21(27)14-12-20/h4,6-9,11-15,22H,2-3,5,10,16-18H2,1H3,(H,28,32)
• InChIKey: DBMQNVKUDZTXID-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.00
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide?

The IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide (CID 137444037) is N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide.

What is the SMILES notation for N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide?

The canonical SMILES for N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide is CCCCCC1CN(CC(=O)NCc2ccccc2)C(=O)c2cc(-c3ccc(Cl)cc3)nn21.

What is the InChIKey of N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide?

The InChIKey is DBMQNVKUDZTXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-2-3-5-10-22-17-30(18-25(32)28-16-19-8-6-4-7-9-19)26(33)24-15-23(29-31(22)24)20-11-13-21(27)14-12-20/h4,6-9,11-15,22H,2-3,5,10,16-18H2,1H3,(H,28,32).

What are the key properties of N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide?

N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 465.00 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 137444037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).