N-(4,5-Dicyano-2-methyl-pyrazol-3-YL)-2,2-dimethyl-propanamide
Basic information
- CAS
54385-56-7- Standard SMILES
Cn1nc(C#N)c(C#N)c1NC(=O)C(C)(C)C- InChIKey
FAPHEUCDPOPFKL-UHFFFAOYSA-N- Molecular formula
- C11H13N5O
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.11201006
Names & identifiers
- Preferred name
- N-(4,5-Dicyano-2-methyl-pyrazol-3-YL)-2,2-dimethyl-propanamide
- IUPAC
- N-(4,5-dicyano-2-methylpyrazol-3-yl)-2,2-dimethylpropanamide
Names & synonyms
54385-56-7NSC172928N-(4,5-DICYANO-2-METHYL-PYRAZOL-3-YL)-2,2-DIMETHYL-PROPANAMIDEDTXSID70305958NSC-172928DS-011585N-(3,4-Dicyano-1-methyl-1H-pyrazol-5-yl)-2,2-dimethylpropanamide
Database identifiers
- CAS
54385-56-7- PubChem CID
- 299648
- DTXSID
DTXSID70305958
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 407
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Compound notes
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