3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid

C6H3BrN2O2S — CID 83681168

IUPAC3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2n[nH]c(Br)c2s1
InChIInChI=1S/C6H3BrN2O2S/c7-5-4-2(8-9-5)1-3(12-4)6(10)11/h1H,(H,8,9)(H,10,11)
InChIKeyGKIOJSKJOJEASB-UHFFFAOYSA-N
MW247.07 g/mol
LogP2.09
Rot. Bonds1

About 3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid

3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid (PubChem CID 83681168) has the molecular formula C6H3BrN2O2S and a molecular weight of 247.07 g/mol. Its IUPAC name is 3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid
PubChem CID83681168
Molecular FormulaC6H3BrN2O2S
Molecular Weight247.07 g/mol
Exact Mass245.91
IUPAC Name3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2n[nH]c(Br)c2s1
InChIInChI=1S/C6H3BrN2O2S/c7-5-4-2(8-9-5)1-3(12-4)6(10)11/h1H,(H,8,9)(H,10,11)
InChIKeyGKIOJSKJOJEASB-UHFFFAOYSA-N
XLogP2.09
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid?
The IUPAC name of 3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid (CID 83681168) is 3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid is O=C(O)c1cc2n[nH]c(Br)c2s1.
What is the InChIKey of 3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid?
The InChIKey is GKIOJSKJOJEASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O2S/c7-5-4-2(8-9-5)1-3(12-4)6(10)11/h1H,(H,8,9)(H,10,11).
What are the key properties of 3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid?
3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid has a molecular weight of 247.07 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2H-thieno[3,2-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 83681168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).