7-(2,4-Dichlorophenyl)-2-methyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]pyridin-3-one
Basic information
- Standard SMILES
Cn1[nH]c2c(c1=O)CCCN2c1ccc(Cl)cc1Cl- InChIKey
HNKTXMUZKUVSRQ-UHFFFAOYSA-N- Molecular formula
- C13H13Cl2N3O
- Average molar mass
- 298.16 g/mol
- Monoisotopic mass
- 297.0435674
Names & identifiers
- Preferred name
- 7-(2,4-Dichlorophenyl)-2-methyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]pyridin-3-one
- IUPAC
- 7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one
Names & synonyms
SCHEMBL5045653SCHEMBL5048463HNKTXMUZKUVSRQ-UHFFFAOYSA-N7-(2,4-dichlorophenyl)-2-methyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]pyridin-3-one
Database identifiers
- PubChem CID
- 22136290
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 426
Related reactions
3 records
Compound notes
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