5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one

C25H33N5O2 — CID 20964689

IUPAC5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
SMILESO=C(c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C25H33N5O2/c31-24(28-16-14-27(15-17-28)21-10-5-2-6-11-21)22-18-23-25(32)29(12-7-13-30(23)26-22)19-20-8-3-1-4-9-20/h1,3-4,8-9,18,21H,2,5-7,10-17,19H2
InChIKeyJUOSPNSLGWMGJW-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.02
Rot. Bonds4

About 5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one

5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one (PubChem CID 20964689) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one.

Molecular Properties

Compound Name5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
PubChem CID20964689
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
SMILESO=C(c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C25H33N5O2/c31-24(28-16-14-27(15-17-28)21-10-5-2-6-11-21)22-18-23-25(32)29(12-7-13-30(23)26-22)19-20-8-3-1-4-9-20/h1,3-4,8-9,18,21H,2,5-7,10-17,19H2
InChIKeyJUOSPNSLGWMGJW-UHFFFAOYSA-N
XLogP3.02
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-2-(4-benzylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 46347961
5-benzyl-2-(4-benzylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077097
5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 50797858
5-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 53086332
5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46078746
5-benzyl-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049845
1-(5-benzyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-N-butan-2-ylpiperidine-2-carboxamide
CID 42854936
5-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077271
5-benzyl-4-oxo-N-propyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50798056
1-(5-benzyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-N-butan-2-ylpyrrolidine-2-carboxamide
CID 46049863
2-(4-benzylpiperidine-1-carbonyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077340
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(4-fluorophenyl)methyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 20886562

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
The IUPAC name of 5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one (CID 20964689) is 5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one.
What is the SMILES notation for 5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
The canonical SMILES for 5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one is O=C(c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
The InChIKey is JUOSPNSLGWMGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c31-24(28-16-14-27(15-17-28)21-10-5-2-6-11-21)22-18-23-25(32)29(12-7-13-30(23)26-22)19-20-8-3-1-4-9-20/h1,3-4,8-9,18,21H,2,5-7,10-17,19H2.
What are the key properties of 5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one has a molecular weight of 435.57 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one is sourced from PubChem (CID 20964689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).