Basic information
- Standard SMILES
CC[C@@H]1Cc2[nH]ncc2[C@H](CC)N1S(=O)(=O)c1ccc(F)cc1- InChIKey
WDWZCPBEJNKJHZ-WBMJQRKESA-N- Molecular formula
- C16H20FN3O2S
- Average molar mass
- 337.4 g/mol
Names & identifiers
- Preferred name
- cis-4,6-Diethyl-5-(4-fluorophenylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
- IUPAC
- (4S,6R)-4,6-diethyl-5-(4-fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
Names & synonyms
SCHEMBL3065706WDWZCPBEJNKJHZ-WBMJQRKESA-Ncis-4,6-Diethyl-5-(4-fluorophenylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Database identifiers
- PubChem CID
- 68499313
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 502
Related reactions
1 records
Compound notes
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