N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-5-[(2-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C24H34N6O3 — CID 46049776

About N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-5-[(2-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-5-[(2-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 46049776) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-5-[(2-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-5-[(2-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
• PubChem CID: 46049776
• Molecular Formula: C24H34N6O3
• Molecular Weight: 454.58 g/mol
• Exact Mass: 454.27
• IUPAC Name: N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-5-[(2-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
• SMILES: CCN(CC)CCNC(=O)CNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1C)C2=O
• InChI: InChI=1S/C24H34N6O3/c1-4-28(5-2)14-11-25-22(31)16-26-23(32)20-15-21-24(33)29(12-8-13-30(21)27-20)17-19-10-7-6-9-18(19)3/h6-7,9-10,15H,4-5,8,11-14,16-17H2,1-3H3,(H,25,31)(H,26,32)
• InChIKey: RWPDAOBTQDHJOO-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 99.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.58
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-5-[(2-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 46049776) is N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-5-[(2-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

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

The canonical SMILES for N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-5-[(2-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CCN(CC)CCNC(=O)CNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1C)C2=O.

What is the InChIKey of N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-5-[(2-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?

The InChIKey is RWPDAOBTQDHJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-4-28(5-2)14-11-25-22(31)16-26-23(32)20-15-21-24(33)29(12-8-13-30(21)27-20)17-19-10-7-6-9-18(19)3/h6-7,9-10,15H,4-5,8,11-14,16-17H2,1-3H3,(H,25,31)(H,26,32).

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

N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-5-[(2-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 1.43, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-5-[(2-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 46049776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).