Basic information
- Standard SMILES
C#Cc1cccc(NC(=O)c2cc(C)nn2C)c1- InChIKey
LIKFPTSQRAKHOZ-UHFFFAOYSA-N- Molecular formula
- C14H13N3O
- Average molar mass
- 239.27 g/mol
Names & identifiers
- Preferred name
- N-(3-ethynylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
- IUPAC
- N-(3-ethynylphenyl)-2,5-dimethylpyrazole-3-carboxamide
Names & synonyms
N-(3-ethynylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamideSCHEMBL834475LIKFPTSQRAKHOZ-UHFFFAOYSA-NAKOS010295970CCG-319729N-(3-ethynylphenyl)-2,5-dimethylpyrazole-3-carboxamideZ7342568482,5-Dimethyl-2H-pyrazole-3-carboxylic acid (3-ethynyl-phenyl)-amide
Database identifiers
- PubChem CID
- 57657904
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
Related reactions
29 records
Linked notes
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