Basic information
- CAS
1421312-09-5- Standard SMILES
CC(C)(C)OC(=O)N1CCCc2c1cnn2-c1ccccc1- InChIKey
GDARODXQZJSBCK-UHFFFAOYSA-N- Molecular formula
- C17H21N3O2
- Average molar mass
- 299.37 g/mol
- Monoisotopic mass
- 299.16337692
Names & identifiers
- Preferred name
- 1-Phenyl-1,5,6,7-tetrahydro-pyrazolo[4,3-b]pyridine-4-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 1-phenyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxylate
- English name
- 1-Phenyl-1,5,6,7-tetrahydro-pyrazolo[4,3-b]pyridine-4-carboxylic acid tert-butyl ester
- Molecular formula
- C17H21N3O2
- Molecular weight
- 299.37
Names & synonyms
1421312-09-51-Phenyl-1,5,6,7-tetrahydro-pyrazolo[4,3-b]pyridine-4-carboxylic acid tert-butyl estertert-Butyl 1-phenyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-4(5H)-carboxylatetert-butyl 1-phenyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylatetert-butyl 1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine-4-carboxylateDTXSID501114447MFCD23115382G119734-Boc-1-phenyl-1,5,6,7-tetrahydro-pyrazolo[4,3-b]pyridinetert-Butyl 1-phenyl-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-b]pyridine-4-carboxylate4H-Pyrazolo[4,3-b]pyridine-4-carboxylic acid, 1,5,6,7-tetrahydro-1-phenyl-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1421312-09-5- PubChem CID
- 91659060
- DTXSID
DTXSID501114447
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 427.4 · 427.4±24.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 2.2 · 2.20±0.20(Predicted)
Chemistry & industry
Suppliers1 total
苏州亚衍医药科技有限公司17715136450 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…