2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

C22H26N4O — CID 7354378

IUPAC2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N1N=CC[C@@H]1c1ccccc1
InChIInChI=1S/C22H26N4O/c27-22(26-21(11-12-23-26)20-9-5-2-6-10-20)18-25-15-13-24(14-16-25)17-19-7-3-1-4-8-19/h1-10,12,21H,11,13-18H2/t21-/m1/s1
InChIKeyFXXUORSRWFSSNK-OAQYLSRUSA-N
MW362.48 g/mol
LogP2.76
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 7354378) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID7354378
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N1N=CC[C@@H]1c1ccccc1
InChIInChI=1S/C22H26N4O/c27-22(26-21(11-12-23-26)20-9-5-2-6-10-20)18-25-15-13-24(14-16-25)17-19-7-3-1-4-8-19/h1-10,12,21H,11,13-18H2/t21-/m1/s1
InChIKeyFXXUORSRWFSSNK-OAQYLSRUSA-N
XLogP2.76
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 69478677
2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 40769241
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 28628434
2-(4-benzylpiperazin-1-yl)-1-[(3S)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 93228849
2-(4-benzylpiperazin-1-yl)-1-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 46030996
2-(4-benzylpiperazin-1-yl)-1-[(3S)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93230001
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
2-(4-benzylpiperazin-1-yl)-1-[(3R)-5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93226455
[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-methylpiperazine-1-carbodithioate
CID 3804860
2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 93228679

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 7354378) is 2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone is O=C(CN1CCN(Cc2ccccc2)CC1)N1N=CC[C@@H]1c1ccccc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is FXXUORSRWFSSNK-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26N4O/c27-22(26-21(11-12-23-26)20-9-5-2-6-10-20)18-25-15-13-24(14-16-25)17-19-7-3-1-4-8-19/h1-10,12,21H,11,13-18H2/t21-/m1/s1.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 362.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 7354378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).