5-(3-Formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid

HCID 59635506
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Basic information

Standard SMILES
O=Cc1cnn2ccc(-c3ccc(C(=O)O)s3)nc12
InChIKey
JMTBRPSLWJCGGL-UHFFFAOYSA-N
Molecular formula
C12H7N3O3S
Average molar mass
273.27 g/mol
Monoisotopic mass
273.02081227

Names & identifiers

Preferred name
5-(3-Formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid
IUPAC
5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid

Names & synonyms

SCHEMBL859969JMTBRPSLWJCGGL-UHFFFAOYSA-N5-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid

Database identifiers

PubChem CID
59635506

Properties

Computed structural properties

XLogP
1
Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

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