5-(1-benzothiophen-2-yl)-1H-pyrazole

C11H8N2S — CID 1481677

IUPAC5-(1-benzothiophen-2-yl)-1H-pyrazole
SMILESc1ccc2sc(-c3ccn[nH]3)cc2c1
InChIInChI=1S/C11H8N2S/c1-2-4-10-8(3-1)7-11(14-10)9-5-6-12-13-9/h1-7H,(H,12,13)
InChIKeyJXMXFAUOPSBJHP-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.29
Rot. Bonds1

About 5-(1-benzothiophen-2-yl)-1H-pyrazole

5-(1-benzothiophen-2-yl)-1H-pyrazole (PubChem CID 1481677) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-1H-pyrazole
PubChem CID1481677
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name5-(1-benzothiophen-2-yl)-1H-pyrazole
SMILESc1ccc2sc(-c3ccn[nH]3)cc2c1
InChIInChI=1S/C11H8N2S/c1-2-4-10-8(3-1)7-11(14-10)9-5-6-12-13-9/h1-7H,(H,12,13)
InChIKeyJXMXFAUOPSBJHP-UHFFFAOYSA-N
XLogP3.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-1H-pyrazole?
The IUPAC name of 5-(1-benzothiophen-2-yl)-1H-pyrazole (CID 1481677) is 5-(1-benzothiophen-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-1H-pyrazole is c1ccc2sc(-c3ccn[nH]3)cc2c1.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-1H-pyrazole?
The InChIKey is JXMXFAUOPSBJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)7-11(14-10)9-5-6-12-13-9/h1-7H,(H,12,13).
What are the key properties of 5-(1-benzothiophen-2-yl)-1H-pyrazole?
5-(1-benzothiophen-2-yl)-1H-pyrazole has a molecular weight of 200.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-1H-pyrazole is sourced from PubChem (CID 1481677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).