1-(5-bromothiophen-2-yl)pyrazole

C7H5BrN2S — CID 12554491

IUPAC1-(5-bromothiophen-2-yl)pyrazole
SMILESBrc1ccc(-n2cccn2)s1
InChIInChI=1S/C7H5BrN2S/c8-6-2-3-7(11-6)10-5-1-4-9-10/h1-5H
InChIKeyVHWYVQYCDIZTTK-UHFFFAOYSA-N
MW229.10 g/mol
LogP2.70
Rot. Bonds1

About 1-(5-bromothiophen-2-yl)pyrazole

1-(5-bromothiophen-2-yl)pyrazole (PubChem CID 12554491) has the molecular formula C7H5BrN2S and a molecular weight of 229.10 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)pyrazole.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)pyrazole
PubChem CID12554491
Molecular FormulaC7H5BrN2S
Molecular Weight229.10 g/mol
Exact Mass227.94
IUPAC Name1-(5-bromothiophen-2-yl)pyrazole
SMILESBrc1ccc(-n2cccn2)s1
InChIInChI=1S/C7H5BrN2S/c8-6-2-3-7(11-6)10-5-1-4-9-10/h1-5H
InChIKeyVHWYVQYCDIZTTK-UHFFFAOYSA-N
XLogP2.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)pyrazole?
The IUPAC name of 1-(5-bromothiophen-2-yl)pyrazole (CID 12554491) is 1-(5-bromothiophen-2-yl)pyrazole.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)pyrazole?
The canonical SMILES for 1-(5-bromothiophen-2-yl)pyrazole is Brc1ccc(-n2cccn2)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)pyrazole?
The InChIKey is VHWYVQYCDIZTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S/c8-6-2-3-7(11-6)10-5-1-4-9-10/h1-5H.
What are the key properties of 1-(5-bromothiophen-2-yl)pyrazole?
1-(5-bromothiophen-2-yl)pyrazole has a molecular weight of 229.10 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)pyrazole is sourced from PubChem (CID 12554491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).