1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine

C15H16N4OS — CID 141011463

IUPAC1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine
SMILESc1coc(-c2scc(-c3ccn[nH]3)c2N2CCNCC2)c1
InChIInChI=1S/C15H16N4OS/c1-2-13(20-9-1)15-14(19-7-5-16-6-8-19)11(10-21-15)12-3-4-17-18-12/h1-4,9-10,16H,5-8H2,(H,17,18)
InChIKeyDBSWDKJTGRFUEV-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.81
Rot. Bonds3

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

1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine (PubChem CID 141011463) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine
PubChem CID141011463
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine
SMILESc1coc(-c2scc(-c3ccn[nH]3)c2N2CCNCC2)c1
InChIInChI=1S/C15H16N4OS/c1-2-13(20-9-1)15-14(19-7-5-16-6-8-19)11(10-21-15)12-3-4-17-18-12/h1-4,9-10,16H,5-8H2,(H,17,18)
InChIKeyDBSWDKJTGRFUEV-UHFFFAOYSA-N
XLogP2.81
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine?
The IUPAC name of 1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine (CID 141011463) is 1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine.
What is the SMILES notation for 1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine?
The canonical SMILES for 1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine is c1coc(-c2scc(-c3ccn[nH]3)c2N2CCNCC2)c1.
What is the InChIKey of 1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine?
The InChIKey is DBSWDKJTGRFUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-13(20-9-1)15-14(19-7-5-16-6-8-19)11(10-21-15)12-3-4-17-18-12/h1-4,9-10,16H,5-8H2,(H,17,18).
What are the key properties of 1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine?
1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine has a molecular weight of 300.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-4-(1H-pyrazol-5-yl)thiophen-3-yl]piperazine is sourced from PubChem (CID 141011463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).