Basic information
- CAS
54385-51-2- Standard SMILES
CC(=O)Nc1c(C#N)c(C#N)nn1C- InChIKey
OCFVSCAOFNCCJF-UHFFFAOYSA-N- Molecular formula
- C8H7N5O
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.06505986
Names & identifiers
- Preferred name
- N-(3,4-Dicyano-1-methyl-1H-pyrazol-5-yl)acetamide
- IUPAC
- N-(4,5-dicyano-2-methylpyrazol-3-yl)acetamide
Names & synonyms
54385-51-2N-(3,4-Dicyano-1-methyl-1H-pyrazol-5-yl)acetamideDTXSID30306643RefChem:361071DTXCID60257770NSC178011N-(4,5-DICYANO-2-METHYL-PYRAZOL-3-YL)ACETAMIDENSC-178011DS-011586
Database identifiers
- CAS
54385-51-2- PubChem CID
- 301372
- DTXSID
DTXSID30306643
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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