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Basic information
- Standard SMILES
CCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1- InChIKey
ZYPPRMRWHYHYSH-UHFFFAOYSA-N- Molecular formula
- C19H18N2O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.13174244
Names & identifiers
- Preferred name
- Ethyl 5-(4-benzyloxyphenyl)-2H-pyrazole-3-carboxylate
- IUPAC
- ethyl 3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylate
Names & synonyms
SCHEMBL70249SCHEMBL7901147ZYPPRMRWHYHYSH-UHFFFAOYSA-NSY483901Ethyl 5-(4-benzyloxyphenyl)-2H-pyrazole-3-carboxylateEthyl 5-[4-(Benzyloxy)phenyl]-1H-pyrazole-3-carboxylate5-(4-benzyloxy-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester170282-01-6
Database identifiers
- PubChem CID
- 22010318
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 390
Related reactions
2 records
Compound notes
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