Basic information
- CAS
115955-49-2- Standard SMILES
O=C(c1ccccc1)c1cnn2cccnc12- InChIKey
ANMOZJCPEIMAKK-UHFFFAOYSA-N- Molecular formula
- C13H9N3O
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.07456191
Names & identifiers
- Preferred name
- Phenylpyrazolo[1,5-a]pyrimidin-3-yl-methanone
- IUPAC
- phenyl(pyrazolo[1,5-a]pyrimidin-3-yl)methanone
Names & synonyms
phenylpyrazolo[1,5-a]pyrimidin-3-yl-methanoneSCHEMBL10554596ANMOZJCPEIMAKK-UHFFFAOYSA-NDTXSID701240636115955-49-2phenyl(pyrazolo[1,5-a]pyrimidin-3-yl)methanoneMethanone, phenylpyrazolo[1,5-a]pyrimidin-3-yl-
Database identifiers
- CAS
115955-49-2- PubChem CID
- 14501871
- DTXSID
DTXSID701240636
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
1 records
Compound notes
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