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

C20H20N4O3 — CID 50798044

IUPAC5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C20H20N4O3/c25-19(21-13-16-8-4-11-27-16)17-12-18-20(26)23(9-5-10-24(18)22-17)14-15-6-2-1-3-7-15/h1-4,6-8,11-12H,5,9-10,13-14H2,(H,21,25)
InChIKeyALIIZECJTWJNMI-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.45
Rot. Bonds5

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

5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 50798044) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID50798044
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C20H20N4O3/c25-19(21-13-16-8-4-11-27-16)17-12-18-20(26)23(9-5-10-24(18)22-17)14-15-6-2-1-3-7-15/h1-4,6-8,11-12H,5,9-10,13-14H2,(H,21,25)
InChIKeyALIIZECJTWJNMI-UHFFFAOYSA-N
XLogP2.45
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-N-(furan-2-ylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077083
5-benzyl-4-oxo-N-(thiophen-2-ylmethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50798104
5-benzyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50798087
5-benzyl-4-oxo-N-propyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50798056
N-[(5-methylfuran-2-yl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53029195
5-benzyl-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049596
N-[(3-bromophenyl)methyl]-5-[(4-chlorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 20964817
N-[(2-methylphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034591
N-[2-(benzylamino)-2-oxoethyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 42855107
3-[(5-benzyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-butan-2-ylamino]propanoic acid
CID 42854013
N-[(3-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034592
5-benzyl-2-(4-benzylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 46347961

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of 5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 50798044) is 5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for 5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is O=C(NCc1ccco1)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O.
What is the InChIKey of 5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is ALIIZECJTWJNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19(21-13-16-8-4-11-27-16)17-12-18-20(26)23(9-5-10-24(18)22-17)14-15-6-2-1-3-7-15/h1-4,6-8,11-12H,5,9-10,13-14H2,(H,21,25).
What are the key properties of 5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 50798044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).