2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl 2-furoate
Basic information
- CAS
955963-47-0- Standard SMILES
Cc1ccc(-n2cc(C(=O)c3ccccc3OC(=O)c3ccco3)cn2)cc1- InChIKey
AWIHJWYXVTYAMG-UHFFFAOYSA-N- Molecular formula
- C22H16N2O4
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.111007
Names & identifiers
- Preferred name
- 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl 2-furoate
- IUPAC
- [2-[1-(4-methylphenyl)pyrazole-4-carbonyl]phenyl] furan-2-carboxylate
Names & synonyms
955963-47-02-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl 2-furoate2-[1-(4-methylphenyl)-1H-pyrazole-4-carbonyl]phenyl furan-2-carboxylate[2-[1-(4-methylphenyl)pyrazole-4-carbonyl]phenyl] furan-2-carboxylateDTXSID501148454MFCD04124562AKOS00508163312W-0256[2-[1-(p-tolyl)pyrazole-4-carbonyl]phenyl] furan-2-carboxylate2-[[1-(4-Methylphenyl)-1H-pyrazol-4-yl]carbonyl]phenyl 2-furancarboxylate2-[1-(4-methylphenyl)-1H-pyrazole-4-carbonyl]phenylfuran-2-carboxylate
Database identifiers
- CAS
955963-47-0- PubChem CID
- 1473480
- DTXSID
DTXSID501148454
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…