Basic information
- Standard SMILES
C#Cc1ccnn1-c1ccccc1- InChIKey
SOWSHZGDQLJXHZ-UHFFFAOYSA-N- Molecular formula
- C11H8N2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.06874826
Names & identifiers
- Preferred name
- 5-ethynyl-1-phenyl-1H-pyrazole
- IUPAC
- 5-ethynyl-1-phenylpyrazole
Names & synonyms
5-ethynyl-1-phenyl-1H-pyrazoleSCHEMBL14973933SOWSHZGDQLJXHZ-UHFFFAOYSA-NH582881357592-60-9
Database identifiers
- PubChem CID
- 89586336
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Related reactions
2 records
Compound notes
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