Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2)nn1Cc1ccccc1- InChIKey
LXWYQWAIMFHXIK-UHFFFAOYSA-N- Molecular formula
- C24H20N2O3
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.1473925
Names & identifiers
- Preferred name
- 2-benzyl-5-(4-benzyloxyphenyl)-2H-pyrazole-3-carboxylic acid
- IUPAC
- 1-benzyl-3-(4-phenylmethoxyphenyl)pyrazole-5-carboxylic acid
Names & synonyms
SCHEMBL7901219LXWYQWAIMFHXIK-UHFFFAOYSA-N2-benzyl-5-(4-benzyloxyphenyl)-2H-pyrazole-3-carboxylic acid
Database identifiers
- PubChem CID
- 22010212
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 508
Related reactions
2 records
Compound notes
Loading…