Basic information
- CAS
5334-45-2- Standard SMILES
CC(=O)Nc1c(C#N)cnn1-c1ccccc1Cl- InChIKey
WVAYYHOBECTWMR-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4O
- Average molar mass
- 260.68 g/mol
- Monoisotopic mass
- 260.0464886
Names & identifiers
- Preferred name
- 5-Acetamido-1-(O-chlorophenyl)-pyrazole-4-carbonitrile
- IUPAC
- N-[1-(2-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide
Names & synonyms
5334-45-2NSC14185-ACETAMIDO-1-(O-CHLOROPHENYL)-PYRAZOLE-4-CARBONITRILEDTXSID10967958NSC-1418N-[1-(2-Chlorophenyl)-4-cyano-1H-pyrazol-5-yl]ethanimidic acid
Database identifiers
- CAS
5334-45-2- PubChem CID
- 219745
- DTXSID
DTXSID10967958
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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