5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C23H31N5O4 — CID 46049936

About 5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 46049936) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

• Compound Name: 5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
• PubChem CID: 46049936
• Molecular Formula: C23H31N5O4
• Molecular Weight: 441.53 g/mol
• Exact Mass: 441.24
• IUPAC Name: 5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
• SMILES: CCNC(=O)CCN(CCOC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O
• InChI: InChI=1S/C23H31N5O4/c1-3-24-21(29)10-13-26(14-15-32-2)22(30)19-16-20-23(31)27(11-7-12-28(20)25-19)17-18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15,17H2,1-2H3,(H,24,29)
• InChIKey: RPIMJQPFPCKOJR-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 96.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?

The IUPAC name of 5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 46049936) is 5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

What is the SMILES notation for 5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?

The canonical SMILES for 5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CCNC(=O)CCN(CCOC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O.

What is the InChIKey of 5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?

The InChIKey is RPIMJQPFPCKOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-3-24-21(29)10-13-26(14-15-32-2)22(30)19-16-20-23(31)27(11-7-12-28(20)25-19)17-18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15,17H2,1-2H3,(H,24,29).

What are the key properties of 5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?

5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 1.54, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 46049936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).