Basic information
- CAS
5311-66-0- Standard SMILES
CCOC(=O)C1=C(c2ccccc2)N=NC1(c1ccccc1)c1ccccc1- InChIKey
YTKAGZHXDDYIRZ-UHFFFAOYSA-N- Molecular formula
- C24H20N2O2
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.15247789
Names & identifiers
- Preferred name
- Ethyl 3,3,5-triphenyl-3H-pyrazole-4-carboxylate
- IUPAC
- ethyl 3,3,5-triphenylpyrazole-4-carboxylate
Names & synonyms
5311-66-0Ethyl 3,3,5-triphenyl-3H-pyrazole-4-carboxylateDTXSID50411081
Database identifiers
- CAS
5311-66-0- PubChem CID
- 5221587
- DTXSID
DTXSID50411081- Nikkaji
- J1.300.445E
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…