Basic information
- Standard SMILES
CC1(C)OC[C@@H](Cn2ccc(N3C(=O)c4ccccc4C3=O)n2)O1- InChIKey
MQQSTCCZFLZZHS-LLVKDONJSA-N- Molecular formula
- C17H17N3O4
- Average molar mass
- 327.33 g/mol
Names & identifiers
- Preferred name
- 2-[1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl-methyl)-1H-pyrazol-3-yl]-isoindole-1,3-dione
- IUPAC
- 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]isoindole-1,3-dione
Names & synonyms
SCHEMBL1078468MQQSTCCZFLZZHS-LLVKDONJSA-N2-[1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl-methyl)-1H-pyrazol-3-yl]-isoindole-1,3-dione
Database identifiers
- PubChem CID
- 59344950
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 514
Related reactions
2 records
Compound notes
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