5-Acetyl-3-methyl-1-phenylpyrano[2,3-c]pyrazol-4-one
Basic information
- CAS
87100-91-2- Standard SMILES
CC(=O)c1coc2c(c(C)nn2-c2ccccc2)c1=O- InChIKey
FIUSNLFQONUJCM-UHFFFAOYSA-N- Molecular formula
- C15H12N2O3
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.08479225
Names & identifiers
- Preferred name
- 5-Acetyl-3-methyl-1-phenylpyrano[2,3-c]pyrazol-4-one
- IUPAC
- 5-acetyl-3-methyl-1-phenylpyrano[3,2-d]pyrazol-4-one
Names & synonyms
87100-91-2NSC3807885-acetyl-3-methyl-1-phenylpyrano[2,3-c]pyrazol-4-oneDTXSID10321758NSC-3807885-Acetyl-3-methyl-1-phenylpyrano[2,3-c]pyrazol-4(1H)-one
Database identifiers
- CAS
87100-91-2- PubChem CID
- 342883
- DTXSID
DTXSID10321758
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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