Basic information
- CAS
96793-52-1- Standard SMILES
Cc1nn(Cc2ccccc2)c2ncccc12- InChIKey
GLYFDIZBHQMLAU-UHFFFAOYSA-N- Molecular formula
- C14H13N3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.11094743
Names & identifiers
- Preferred name
- 1-Benzyl-3-methyl-1H-pyrazolo[3,4-b]pyridine
- IUPAC
- 1-benzyl-3-methylpyrazolo[5,4-b]pyridine
Names & synonyms
1-Benzyl-3-methyl-1H-pyrazolo[3,4-b]pyridine96793-52-11-benzyl-3-methylpyrazolo[3,4-b]pyridineChemDiv2_000223Oprea1_269199Oprea1_616345CBDivE_002005MLS001207921CHEMBL1449929DTXSID901323107HMS1369K03HMS2842P09
Show more names
STK328066AKOS000546208SMR000505186
Database identifiers
- CAS
96793-52-1- PubChem CID
- 778693
- DTXSID
DTXSID901323107- ChEMBL
CHEMBL1449929
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
Solubility14.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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