Basic information
- Standard SMILES
O=S(=O)(c1ccccc1)n1cc(C#CCCCc2ccccc2)c(-c2cccnc2)n1- InChIKey
AYBRFRQKMVYCHP-UHFFFAOYSA-N- Molecular formula
- C25H21N3O2S
- Average molar mass
- 427.5 g/mol
Names & identifiers
- Preferred name
- 3-[1-phenylsulfonyl-4-(5-phenyl-pent-1-ynyl)-1H-pyrazol-3-yl]-pyridine
- IUPAC
- 3-[1-(benzenesulfonyl)-4-(5-phenylpent-1-ynyl)pyrazol-3-yl]pyridine
Names & synonyms
SCHEMBL2121987AYBRFRQKMVYCHP-UHFFFAOYSA-N3-[1-phenylsulfonyl-4-(5-phenyl-pent-1-ynyl)-1H-pyrazol-3-yl]-pyridine
Database identifiers
- PubChem CID
- 67284086
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 723
Related reactions
6 records
Compound notes
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