4-(1-Methyl-3-phenyl-1H-pyrazol-5-yl)benzonitrile
Basic information
- CAS
934605-39-7- Standard SMILES
Cn1nc(-c2ccccc2)cc1-c1ccc(C#N)cc1- InChIKey
UYFMNWGILDBMEN-UHFFFAOYSA-N- Molecular formula
- C17H13N3
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.11094743
Names & identifiers
- Preferred name
- 4-(1-Methyl-3-phenyl-1H-pyrazol-5-yl)benzonitrile
- IUPAC
- 4-(1-methyl-3-phenylpyrazol-5-yl)benzonitrile
Names & synonyms
4-(1-Methyl-3-phenyl-1H-pyrazol-5-yl)benzonitrileDTXSID101235156934605-39-7
Database identifiers
- CAS
934605-39-7- PubChem CID
- 102460451
- DTXSID
DTXSID101235156- Nikkaji
- J3.121.734B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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