Basic information
- CAS
5395-46-0- Standard SMILES
CCc1nc(Nc2cccc(Cl)c2)c2cnn(-c3ccccc3)c2n1- InChIKey
OXFWMQVBOPWXSU-UHFFFAOYSA-N- Molecular formula
- C19H16ClN5
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.1094232
Names & identifiers
- Preferred name
- n-(3-Chlorophenyl)-6-ethyl-1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- N-(3-chlorophenyl)-6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
n-(3-chlorophenyl)-6-ethyl-1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine5395-46-0NSC1651DTXSID80968755NSC-16514-(3-CHLOROANILINO)-6-ETHYL-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE
Database identifiers
- CAS
5395-46-0- PubChem CID
- 219871
- DTXSID
DTXSID80968755
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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