Basic information
- Standard SMILES
CN(C)C(=O)OCC1c2cn[nH]c2CCN1S(=O)(=O)c1ccc(Cl)cc1- InChIKey
PXZHQXQGCCNTBI-UHFFFAOYSA-N- Molecular formula
- C16H19ClN4O4S
- Average molar mass
- 398.9 g/mol
Names & identifiers
- Preferred name
- (5-(4-Chlorophenylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-4-yl)methyl dimethylcarbamate
- IUPAC
- [5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-4-yl]methyl N,N-dimethylcarbamate
Names & synonyms
CHEMBL1090407SCHEMBL3067595PXZHQXQGCCNTBI-UHFFFAOYSA-NBDBM50482040(5(4-Chlorophenylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-4-yl)methyl dimethylcarbamate(5-(4-Chlorophenylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-4-yl)methyl dimethylcarbamate
Database identifiers
- PubChem CID
- 16730799
- ChEMBL
CHEMBL1090407
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 604
Related reactions
2 records
Compound notes
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