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

C22H26N4O — CID 2981912

IUPAC2-(4-benzylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N1N=CCC1c1ccccc1
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
InChIKeyFXXUORSRWFSSNK-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.76
Rot. Bonds5

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

2-(4-benzylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 2981912) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID2981912
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N1N=CCC1c1ccccc1
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
InChIKeyFXXUORSRWFSSNK-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 2981912) is 2-(4-benzylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is O=C(CN1CCN(Cc2ccccc2)CC1)N1N=CCC1c1ccccc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is FXXUORSRWFSSNK-UHFFFAOYSA-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.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-(4-benzylpiperazin-1-yl)-1-(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-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 2981912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).