Basic information
- CAS
1174311-16-0- Standard SMILES
CC(=O)c1c(N)c(C#N)nn1-c1ccc(Cl)cc1- InChIKey
KLVVVXWEILZVGE-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4O
- Average molar mass
- 260.68 g/mol
- Monoisotopic mass
- 260.0464886
Names & identifiers
- Preferred name
- 5-Acetyl-4-amino-1-(4-chlorophenyl)-1H-pyrazole-3-carbonitrile
- IUPAC
- 5-acetyl-4-amino-1-(4-chlorophenyl)pyrazole-3-carbonitrile
Names & synonyms
DTXSID7011781225-Acetyl-4-amino-1-(4-chlorophenyl)-1H-pyrazole-3-carbonitrile1174311-16-0
Database identifiers
- CAS
1174311-16-0- PubChem CID
- 39733229
- DTXSID
DTXSID701178122
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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