1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-(2-phenylethyl)-, ethyl ester
Basic information
- CAS
87634-09-1- Standard SMILES
CCOC(=O)c1cnn(-c2ccccc2)c1CCc1ccccc1- InChIKey
HXPYRRMFZHQRHU-UHFFFAOYSA-N- Molecular formula
- C20H20N2O2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.15247789
Names & identifiers
- Preferred name
- 1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-(2-phenylethyl)-, ethyl ester
- IUPAC
- ethyl 1-phenyl-5-(2-phenylethyl)pyrazole-4-carboxylate
Names & synonyms
87634-09-11H-Pyrazole-4-carboxylic acid, 1-phenyl-5-(2-phenylethyl)-, ethyl esterDTXSID50454034ethyl 1-phenyl-5-(2-phenylethyl)-1H-pyrazole-4-carboxylate
Database identifiers
- CAS
87634-09-1- PubChem CID
- 11067166
- DTXSID
DTXSID50454034- Nikkaji
- J1.878.979E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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