Basic information
- Standard SMILES
CCOC(=O)c1cc(C(C)(C)C)n(-c2cccc(Br)c2)n1- InChIKey
PXPTZYIFEFASMC-UHFFFAOYSA-N- Molecular formula
- C16H19BrN2O2
- Average molar mass
- 351.24 g/mol
Names & identifiers
- Preferred name
- ethyl 1-(3-bromophenyl)-5-tert-butyl-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 1-(3-bromophenyl)-5-tert-butylpyrazole-3-carboxylate
Names & synonyms
SCHEMBL4501553PXPTZYIFEFASMC-UHFFFAOYSA-Nethyl 1-(3-bromophenyl)-5-tert-butyl-1H-pyrazole-3-carboxylate
Database identifiers
- PubChem CID
- 57428253
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
2 records
Compound notes
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