3-methyl-2-phenylchromeno[4,3-c]pyrazol-4(2H)-one
Basic information
- CAS
86100-07-4- Standard SMILES
Cc1c2c(=O)oc3ccccc3c2nn1-c1ccccc1- InChIKey
VJSRCIFAUSKZHJ-UHFFFAOYSA-N- Molecular formula
- C17H12N2O2
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.08987763
Names & identifiers
- Preferred name
- 3-methyl-2-phenylchromeno[4,3-c]pyrazol-4(2H)-one
- IUPAC
- 3-methyl-2-phenylchromeno[4,3-c]pyrazol-4-one
Names & synonyms
86100-07-43-methyl-2-phenylchromeno[4,3-c]pyrazol-4(2H)-oneCHEMBL102071DTXSID80574491BDBM50299486PD1814673-Methyl-2-phenyl[1]benzopyrano[4,3-c]pyrazol-4(2H)-one
Database identifiers
- CAS
86100-07-4- PubChem CID
- 15569045
- DTXSID
DTXSID80574491- ChEMBL
CHEMBL102071
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…