5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C23H24N4O4 — CID 53086333

About 5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 53086333) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

• Compound Name: 5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
• PubChem CID: 53086333
• Molecular Formula: C23H24N4O4
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.18
• IUPAC Name: 5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
• SMILES: COc1ccc(NC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)c(OC)c1
• InChI: InChI=1S/C23H24N4O4/c1-30-17-9-10-18(21(13-17)31-2)24-22(28)19-14-20-23(29)26(11-6-12-27(20)25-19)15-16-7-4-3-5-8-16/h3-5,7-10,13-14H,6,11-12,15H2,1-2H3,(H,24,28)
• InChIKey: QTZBHYMFCYBZPP-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?

The IUPAC name of 5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 53086333) is 5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

What is the SMILES notation for 5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?

The canonical SMILES for 5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is COc1ccc(NC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)c(OC)c1.

What is the InChIKey of 5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?

The InChIKey is QTZBHYMFCYBZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-30-17-9-10-18(21(13-17)31-2)24-22(28)19-14-20-23(29)26(11-6-12-27(20)25-19)15-16-7-4-3-5-8-16/h3-5,7-10,13-14H,6,11-12,15H2,1-2H3,(H,24,28).

What are the key properties of 5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?

5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 53086333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).