Basic information
- CAS
64789-59-9- Standard SMILES
COc1ccc(N2CCC(c3ccc(C#N)cc3)=N2)cc1- InChIKey
OBXYHQNFUQEKSA-UHFFFAOYSA-N- Molecular formula
- C17H15N3O
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.12151211
Names & identifiers
- Preferred name
- 4-[1-(4-Methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzonitrile
- IUPAC
- 4-[2-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzonitrile
Names & synonyms
64789-59-9SCHEMBL9778249DTXSID706021114-[1-(4-Methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzonitrile
Database identifiers
- CAS
64789-59-9- PubChem CID
- 20070130
- DTXSID
DTXSID70602111
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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