Basic information
- Standard SMILES
Brc1cnn2c(-c3ccsc3)ccnc12- InChIKey
ISHJFVKODZUDSK-UHFFFAOYSA-N- Molecular formula
- C10H6BrN3S
- Average molar mass
- 280.15 g/mol
- Monoisotopic mass
- 278.94658
Names & identifiers
- Preferred name
- 3-Bromo-7-(3-thienyl)pyrazolo[1,5-a]pyrimidine
- IUPAC
- 3-bromo-7-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
Names & synonyms
SCHEMBL11160012ISHJFVKODZUDSK-UHFFFAOYSA-N3-Bromo-7-(3-thienyl)pyrazolo[1,5-a]pyrimidine
Database identifiers
- PubChem CID
- 21163084
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Related reactions
1 records
Compound notes
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