N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
Basic information
- CAS
1056894-55-3- Standard SMILES
CC(C)(C)CCC(=O)Nc1cc(C2CC2)[nH]n1- InChIKey
XVALSMMJRKIGFZ-UHFFFAOYSA-N- Molecular formula
- C13H21N3O
- Average molar mass
- 235.33 g/mol
- Monoisotopic mass
- 235.1684623
Names & identifiers
- Preferred name
- N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
- IUPAC
- N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
Names & synonyms
DTXSID201198862N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide1056894-55-3
Database identifiers
- CAS
1056894-55-3- PubChem CID
- 9837579
- DTXSID
DTXSID201198862
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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