5-Chloro-3,6-dimethyl-1-phenylpyrano(2,3-c)pyrazol-4(1H)-one
Basic information
- CAS
87100-99-0- Standard SMILES
Cc1oc2c(c(C)nn2-c2ccccc2)c(=O)c1Cl- InChIKey
CJIHESUAAAFYIB-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O2
- Average molar mass
- 274.7 g/mol
- Monoisotopic mass
- 274.0509053
Names & identifiers
- Preferred name
- 5-Chloro-3,6-dimethyl-1-phenylpyrano(2,3-c)pyrazol-4(1H)-one
- IUPAC
- 5-chloro-3,6-dimethyl-1-phenylpyrano[3,2-d]pyrazol-4-one
Names & synonyms
87100-99-0NSC3620935-Chloro-3,6-dimethyl-1-phenylpyrano(2,3-c)pyrazol-4(1H)-oneNSC 362093MLS0031711925-Chloro-3,6-dimethyl-1-phenylpyrano[2,3-c]pyrazol-4(1H)-onePyrano[2,3-c]pyrazol-4(1H)-one,5-chloro-3,6-dimethyl-1-phenyl-CHEMBL4296928DTXSID50236135NSC-362093SMR001875098DS-012333
Show more names
5-chloro-3,6-dimethyl-1-phenyl-pyrano[2,3-c]pyrazol-4-one
Database identifiers
- CAS
87100-99-0- PubChem CID
- 338688
- DTXSID
DTXSID50236135- ChEMBL
CHEMBL4296928
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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