Basic information
- CAS
88320-66-5- Standard SMILES
CCc1nc2c(cnn2C)c(=O)n1-c1ccccc1Cl- InChIKey
LIPMQNZNZDTSAN-UHFFFAOYSA-N- Molecular formula
- C14H13ClN4O
- Average molar mass
- 288.73 g/mol
- Monoisotopic mass
- 288.0777887
Names & identifiers
- Preferred name
- 5-(2-Chlorophenyl)-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-one
- IUPAC
- 5-(2-chlorophenyl)-6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
Names & synonyms
88320-66-5NSC3537035-(2-chlorophenyl)-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-oneDTXSID00320018NSC-3537035-(2-Chlorophenyl)-6-ethyl-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Database identifiers
- CAS
88320-66-5- PubChem CID
- 337074
- DTXSID
DTXSID00320018
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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