5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one

C26H29ClN4O2 — CID 73328660

IUPAC5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1C2CC(c3ccc(Cl)cc3)NN2C=CN1CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H29ClN4O2/c27-22-8-6-21(7-9-22)23-17-24-26(33)30(14-15-31(24)28-23)18-25(32)29-12-10-20(11-13-29)16-19-4-2-1-3-5-19/h1-9,14-15,20,23-24,28H,10-13,16-18H2
InChIKeyPFTFLNLXWXSHMI-UHFFFAOYSA-N
MW465.00 g/mol
LogP3.75
Rot. Bonds5

About 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one

5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 73328660) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID73328660
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1C2CC(c3ccc(Cl)cc3)NN2C=CN1CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H29ClN4O2/c27-22-8-6-21(7-9-22)23-17-24-26(33)30(14-15-31(24)28-23)18-25(32)29-12-10-20(11-13-29)16-19-4-2-1-3-5-19/h1-9,14-15,20,23-24,28H,10-13,16-18H2
InChIKeyPFTFLNLXWXSHMI-UHFFFAOYSA-N
XLogP3.75
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 5182758
1-(4-benzylpiperidin-1-yl)-3-[11-(4-fluorophenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]propan-1-one
CID 51895934
N-(3-methylphenyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 73340645
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one
CID 2946263
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 73340696
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 16811870
2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 156591329
N-(3-methylphenyl)-2-[2-(4-methylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 73338587
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one
CID 92648935
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2388361
(5S)-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178688

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one (CID 73328660) is 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one is O=C1C2CC(c3ccc(Cl)cc3)NN2C=CN1CC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PFTFLNLXWXSHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c27-22-8-6-21(7-9-22)23-17-24-26(33)30(14-15-31(24)28-23)18-25(32)29-12-10-20(11-13-29)16-19-4-2-1-3-5-19/h1-9,14-15,20,23-24,28H,10-13,16-18H2.
What are the key properties of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 465.00 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 73328660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).