N-(4,5-dicyano-1-methylpyrazol-3-yl)acetamide

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Basic information

CAS: 54385-52-3
Standard SMILES: CC(=O)Nc1nn(C)c(C#N)c1C#N
InChIKey: AKOKPIZVRFMISO-UHFFFAOYSA-N
Molecular formula: C8H7N5O
Average molar mass: 189.17 g/mol
Monoisotopic mass: 189.06505986

Names & identifiers

Preferred name: N-(4,5-dicyano-1-methylpyrazol-3-yl)acetamide
IUPAC: N-(4,5-dicyano-1-methylpyrazol-3-yl)acetamide

Names & synonyms

N-(4,5-dicyano-1-methylpyrazol-3-yl)acetamide54385-52-3DTXSID90306644RefChem:361526DTXCID20257771NSC178013NSC-178013DS-006281N-(4,5-Dicyano-1-methyl-1H-pyrazol-3-yl)acetamideACETAMIDE,N-(4,5-DICYANO-1-METHYL-1H-PYRAZOL-3-YL)-

Database identifiers

CAS: 54385-52-3
PubChem CID: 301374
DTXSID: DTXSID90306644

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 94.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 334

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Compound notes

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