1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone

C20H22N4OS — CID 142843206

IUPAC1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone
SMILESCc1ccc(N2CCN(C(=O)Cn3ccc(-c4cccs4)n3)CC2)cc1
InChIInChI=1S/C20H22N4OS/c1-16-4-6-17(7-5-16)22-10-12-23(13-11-22)20(25)15-24-9-8-18(21-24)19-3-2-14-26-19/h2-9,14H,10-13,15H2,1H3
InChIKeyXFNVDGDXYGBLIR-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.27
Rot. Bonds4

About 1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone

1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone (PubChem CID 142843206) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone
PubChem CID142843206
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone
SMILESCc1ccc(N2CCN(C(=O)Cn3ccc(-c4cccs4)n3)CC2)cc1
InChIInChI=1S/C20H22N4OS/c1-16-4-6-17(7-5-16)22-10-12-23(13-11-22)20(25)15-24-9-8-18(21-24)19-3-2-14-26-19/h2-9,14H,10-13,15H2,1H3
InChIKeyXFNVDGDXYGBLIR-UHFFFAOYSA-N
XLogP3.27
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone
CID 141111832
ethyl 1-[2-[4-(4-iodophenyl)piperazin-1-yl]-2-oxoethyl]-3-thiophen-2-ylpyrazole-5-carboxylate
CID 70829470
N-(2,4-difluorophenyl)-2-[4-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]-1,4-diazepan-1-yl]acetamide
CID 74226479
1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone
CID 86873498
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112809499
ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 177161968
2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 54594517
methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate
CID 121211890
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 55969661
4-(4-methylphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4-diazepane-1-carboxamide
CID 99812567
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(4-fluorophenyl)-1-(4-methylphenyl)-3-thiophen-2-yl-4H-pyrazolo[5,4-e][1,4]thiazepin-7-one
CID 71958826
2-(3-methylphenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 41233272

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone (CID 142843206) is 1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone is Cc1ccc(N2CCN(C(=O)Cn3ccc(-c4cccs4)n3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone?
The InChIKey is XFNVDGDXYGBLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-16-4-6-17(7-5-16)22-10-12-23(13-11-22)20(25)15-24-9-8-18(21-24)19-3-2-14-26-19/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone?
1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone has a molecular weight of 366.49 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone is sourced from PubChem (CID 142843206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).