5-Tert-butyl-6a-hydroxy-3-phenylhexahydropyrrolo[3,4-c]pyrazol-6(1h)-one
Basic information
- CAS
27503-42-0- Standard SMILES
CC(C)(C)N1CC2C(c3ccccc3)NNC2(O)C1=O- InChIKey
HBMCEECZTYLKEM-UHFFFAOYSA-N- Molecular formula
- C15H21N3O2
- Average molar mass
- 275.35 g/mol
- Monoisotopic mass
- 275.16337692
Names & identifiers
- Preferred name
- 5-Tert-butyl-6a-hydroxy-3-phenylhexahydropyrrolo[3,4-c]pyrazol-6(1h)-one
- IUPAC
- 5-tert-butyl-6a-hydroxy-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-6-one
Names & synonyms
27503-42-05-tert-butyl-6a-hydroxy-3-phenylhexahydropyrrolo[3,4-c]pyrazol-6(1h)-oneNSC152398DTXSID40302651NSC-152398
Database identifiers
- CAS
27503-42-0- PubChem CID
- 289929
- DTXSID
DTXSID40302651
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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