Basic information
- Standard SMILES
CCCCC#Cc1cn(S(=O)(=O)c2ccccc2)nc1-c1cccnc1- InChIKey
JHJHJCGLFZKPQX-UHFFFAOYSA-N- Molecular formula
- C20H19N3O2S
- Average molar mass
- 365.5 g/mol
Names & identifiers
- Preferred name
- 3-(1-phenylsulfonyl-4-hex-1-ynyl-1H-pyrazol-3-yl)-pyridine
- IUPAC
- 3-[1-(benzenesulfonyl)-4-hex-1-ynylpyrazol-3-yl]pyridine
Names & synonyms
SCHEMBL2123155JHJHJCGLFZKPQX-UHFFFAOYSA-N3-(1-phenylsulfonyl-4-hex-1-ynyl-1H-pyrazol-3-yl)-pyridine
Database identifiers
- PubChem CID
- 57548044
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 610
Related reactions
7 records
Compound notes
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