1-[3-(3-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenyl]Cyclopropanecarbonitrile
Basic information
- CAS
1363197-85-6- Standard SMILES
CCc1[nH]nc2ncnc(-c3cccc(C4(C#N)CC4)c3)c12- InChIKey
JIJZEVBTNJLAJR-UHFFFAOYSA-N- Molecular formula
- C17H15N5
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.1327455
Names & identifiers
- Preferred name
- 1-[3-(3-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenyl]Cyclopropanecarbonitrile
- IUPAC
- 1-[3-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)phenyl]cyclopropane-1-carbonitrile
Names & synonyms
1363197-85-61-[3-(3-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenyl]CyclopropanecarbonitrileDTXSID001137212DA-113571-[3-(3-Ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenyl]cyclopropane-1-carbonitrile
Database identifiers
- CAS
1363197-85-6- PubChem CID
- 54588976
- DTXSID
DTXSID001137212
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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