Basic information
- CAS
657415-34-4- Standard SMILES
O=C(c1ccccc1)N1Cc2[nH]nc(-c3ccco3)c2C1- InChIKey
MNKGXXJNSAZECD-UHFFFAOYSA-N- Molecular formula
- C16H13N3O2
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.10077667
Names & identifiers
- Preferred name
- [3-(furan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]-phenylmethanone
- IUPAC
- [3-(furan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-phenylmethanone
Names & synonyms
657415-34-4CTK1J5846[3-(furan-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]-phenylmethanoneDTXSID00472425[3-(Furan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl](phenyl)methanone
Database identifiers
- CAS
657415-34-4- PubChem CID
- 11778357
- DTXSID
DTXSID00472425
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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