[5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone

C18H20N4O2S — CID 166230451

IUPAC[5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccoc1)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C18H20N4O2S/c23-18(16-12-19-20-17(16)14-4-10-24-13-14)22-8-6-21(7-9-22)5-3-15-2-1-11-25-15/h1-2,4,10-13H,3,5-9H2,(H,19,20)
InChIKeyWJKPLBOIPLLGRI-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.73
Rot. Bonds5

About [5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone

[5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 166230451) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is [5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
PubChem CID166230451
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name[5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccoc1)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C18H20N4O2S/c23-18(16-12-19-20-17(16)14-4-10-24-13-14)22-8-6-21(7-9-22)5-3-15-2-1-11-25-15/h1-2,4,10-13H,3,5-9H2,(H,19,20)
InChIKeyWJKPLBOIPLLGRI-UHFFFAOYSA-N
XLogP2.73
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 24642065
(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56819060
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72903607
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24610082
imidazo[1,2-a]pyridin-6-yl-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56785307
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 71824945
1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one
CID 136578933
methyl 3-[5-(furan-3-yl)-1H-pyrazol-4-yl]propanoate
CID 121212621
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
1-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetyl]imidazolidin-2-one
CID 47073365
N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 23824710

Frequently Asked Questions

What is the IUPAC name of [5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone (CID 166230451) is [5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone is O=C(c1cn[nH]c1-c1ccoc1)N1CCN(CCc2cccs2)CC1.
What is the InChIKey of [5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is WJKPLBOIPLLGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-18(16-12-19-20-17(16)14-4-10-24-13-14)22-8-6-21(7-9-22)5-3-15-2-1-11-25-15/h1-2,4,10-13H,3,5-9H2,(H,19,20).
What are the key properties of [5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
[5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 356.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-3-yl)-1H-pyrazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 166230451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).