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

C20H23ClN4O2 — CID 50797858

IUPAC5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
SMILESO=C(c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O)N1CCCCC1
InChIInChI=1S/C20H23ClN4O2/c21-16-7-5-15(6-8-16)14-24-11-4-12-25-18(20(24)27)13-17(22-25)19(26)23-9-2-1-3-10-23/h5-8,13H,1-4,9-12,14H2
InChIKeyFZISPKNZVNNPBU-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.21
Rot. Bonds3

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

5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one (PubChem CID 50797858) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
PubChem CID50797858
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
SMILESO=C(c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O)N1CCCCC1
InChIInChI=1S/C20H23ClN4O2/c21-16-7-5-15(6-8-16)14-24-11-4-12-25-18(20(24)27)13-17(22-25)19(26)23-9-2-1-3-10-23/h5-8,13H,1-4,9-12,14H2
InChIKeyFZISPKNZVNNPBU-UHFFFAOYSA-N
XLogP3.21
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 20964689
N-butan-2-yl-5-[(4-chlorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50797863
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
5-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077271
N-(4-chloro-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53086344
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
5-[(4-chlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875171
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-[(4-chlorophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 20964812
5-benzyl-2-(4-benzylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077097
5-[(4-chlorophenyl)methyl]-4-oxo-N-(3-propan-2-yloxypropyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 20964798

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one (CID 50797858) is 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one is O=C(c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O)N1CCCCC1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
The InChIKey is FZISPKNZVNNPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-16-7-5-15(6-8-16)14-24-11-4-12-25-18(20(24)27)13-17(22-25)19(26)23-9-2-1-3-10-23/h5-8,13H,1-4,9-12,14H2.
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one has a molecular weight of 386.88 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one is sourced from PubChem (CID 50797858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).