5-thiophen-3-yl-1H-indazole

C11H8N2S — CID 19352958

IUPAC5-thiophen-3-yl-1H-indazole
SMILESc1cc(-c2ccc3[nH]ncc3c2)cs1
InChIInChI=1S/C11H8N2S/c1-2-11-10(6-12-13-11)5-8(1)9-3-4-14-7-9/h1-7H,(H,12,13)
InChIKeyQXHLOLJGIKCFFR-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.29
Rot. Bonds1

About 5-thiophen-3-yl-1H-indazole

5-thiophen-3-yl-1H-indazole (PubChem CID 19352958) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 5-thiophen-3-yl-1H-indazole.

Molecular Properties

Compound Name5-thiophen-3-yl-1H-indazole
PubChem CID19352958
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name5-thiophen-3-yl-1H-indazole
SMILESc1cc(-c2ccc3[nH]ncc3c2)cs1
InChIInChI=1S/C11H8N2S/c1-2-11-10(6-12-13-11)5-8(1)9-3-4-14-7-9/h1-7H,(H,12,13)
InChIKeyQXHLOLJGIKCFFR-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-thiophen-3-yl-1H-indazole?
The IUPAC name of 5-thiophen-3-yl-1H-indazole (CID 19352958) is 5-thiophen-3-yl-1H-indazole.
What is the SMILES notation for 5-thiophen-3-yl-1H-indazole?
The canonical SMILES for 5-thiophen-3-yl-1H-indazole is c1cc(-c2ccc3[nH]ncc3c2)cs1.
What is the InChIKey of 5-thiophen-3-yl-1H-indazole?
The InChIKey is QXHLOLJGIKCFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-11-10(6-12-13-11)5-8(1)9-3-4-14-7-9/h1-7H,(H,12,13).
What are the key properties of 5-thiophen-3-yl-1H-indazole?
5-thiophen-3-yl-1H-indazole 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-thiophen-3-yl-1H-indazole is sourced from PubChem (CID 19352958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).