5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole

C11H8N2S2 — CID 2739854

IUPAC5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole
SMILESc1csc(-c2ccc(-c3ccn[nH]3)s2)c1
InChIInChI=1S/C11H8N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h1-7H,(H,12,13)
InChIKeyJTXMBJSVNQHHPW-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.87
Rot. Bonds2

About 5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole

5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole (PubChem CID 2739854) has the molecular formula C11H8N2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole
PubChem CID2739854
Molecular FormulaC11H8N2S2
Molecular Weight232.33 g/mol
Exact Mass232.01
IUPAC Name5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole
SMILESc1csc(-c2ccc(-c3ccn[nH]3)s2)c1
InChIInChI=1S/C11H8N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h1-7H,(H,12,13)
InChIKeyJTXMBJSVNQHHPW-UHFFFAOYSA-N
XLogP3.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole?
The IUPAC name of 5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole (CID 2739854) is 5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole is c1csc(-c2ccc(-c3ccn[nH]3)s2)c1.
What is the InChIKey of 5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole?
The InChIKey is JTXMBJSVNQHHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h1-7H,(H,12,13).
What are the key properties of 5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole?
5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole has a molecular weight of 232.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole is sourced from PubChem (CID 2739854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).