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Basic information
- Standard SMILES
CCc1cc(Br)ccc1Cn1cccn1- InChIKey
GEWNQCPEWAZQAR-UHFFFAOYSA-N- Molecular formula
- C12H13BrN2
- Average molar mass
- 265.15 g/mol
Names & identifiers
- Preferred name
- 1-(4-Bromo-2-ethyl-benzyl)-1H-pyrazole
- IUPAC
- 1-[(4-bromo-2-ethylphenyl)methyl]pyrazole
Names & synonyms
1-(4-Bromo-2-ethyl-benzyl)-1H-pyrazoleSCHEMBL4465767GEWNQCPEWAZQAR-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 58764166
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Related reactions
4 records
Compound notes
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