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Basic information
- Standard SMILES
CCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)nn1Cc1ccccc1- InChIKey
ZNYRTHKBXNKFJF-UHFFFAOYSA-N- Molecular formula
- C26H24N2O3
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- ethyl 2-benzyl-5-(4-benzyloxyphenyl)-2H-pyrazole-3-carboxylate
- IUPAC
- ethyl 1-benzyl-3-(4-phenylmethoxyphenyl)pyrazole-5-carboxylate
Names & synonyms
SCHEMBL7910944ZNYRTHKBXNKFJF-UHFFFAOYSA-Nethyl 2-benzyl-5-(4-benzyloxyphenyl)-2H-pyrazole-3-carboxylate
Database identifiers
- PubChem CID
- 22010441
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 537
Related reactions
3 records
Compound notes
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