1,1-Dimethylethyl 3-[4-(dimethylamino)phenyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
Basic information
- CAS
661487-37-2- Standard SMILES
CN(C)c1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)cc1- InChIKey
NNYDIAUMFQYBGB-UHFFFAOYSA-N- Molecular formula
- C19H26N4O2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.20557608
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 3-[4-(dimethylamino)phenyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
- IUPAC
- tert-butyl 3-[4-(dimethylamino)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
Names & synonyms
DTXSID0011109691,1-Dimethylethyl 3-[4-(dimethylamino)phenyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate661487-37-2
Database identifiers
- CAS
661487-37-2- PubChem CID
- 165367663
- DTXSID
DTXSID001110969
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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