N-(6-Benzyl-5,6-dihydropyrazolo[3,4-c]pyrazol-3-yl)acetamide
Basic information
- CAS
821004-31-3- Standard SMILES
CC(=O)Nc1[nH]nc2c1cnn2Cc1ccccc1- InChIKey
FRTGVLPYBZMRQI-UHFFFAOYSA-N- Molecular formula
- C13H13N5O
- Average molar mass
- 255.28 g/mol
- Monoisotopic mass
- 255.11201006
Names & identifiers
- Preferred name
- N-(6-Benzyl-5,6-dihydropyrazolo[3,4-c]pyrazol-3-yl)acetamide
- IUPAC
- N-(6-benzyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide
Names & synonyms
821004-31-3N-(6-Benzyl-1,6-dihydropyrazolo[3,4-c]pyrazol-3-yl)acetamideDTXSID80839315N-(6-Benzyl-5,6-dihydropyrazolo[3,4-c]pyrazol-3-yl)acetamide
Database identifiers
- CAS
821004-31-3- PubChem CID
- 136235232
- DTXSID
DTXSID80839315
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
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Compound notes
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