1-(4-chlorobenzyl)-4-(3,5-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
Basic information
- CAS
612523-93-0- Standard SMILES
CC1CC(C)CN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)C1- InChIKey
ZPPPJFXHLVGGCO-UHFFFAOYSA-N- Molecular formula
- C19H22ClN5
- Average molar mass
- 355.9 g/mol
- Monoisotopic mass
- 355.1563734
Names & identifiers
- Preferred name
- 1-(4-chlorobenzyl)-4-(3,5-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 1-[(4-chlorophenyl)methyl]-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
Names & synonyms
1-(4-chlorobenzyl)-4-(3,5-dimethylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine612523-93-01-(4-chlorobenzyl)-4-(3,5-dimethyl-1-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidineSMR000074061MLS000096758MLS002542008CHEMBL1370391HMS2191K06STK109131AKOS001338117AKOS0162957471-[(4-chlorophenyl)methyl]-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidine
Show more names
ST50056329VU0494327-1SR-01000267949SR-01000267949-1Z57453687F1405-06024-(3,5-dimethylpiperidyl)-1-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
Database identifiers
- CAS
612523-93-0- PubChem CID
- 2944971
- ChEMBL
CHEMBL1370391- EC Number
- 115-363-1
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 432
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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