Basic information
- Standard SMILES
Cc1c(C(=O)O)nn(C)c1-c1cccc(Br)c1- InChIKey
PRLGZHAPCSPYAC-UHFFFAOYSA-N- Molecular formula
- C12H11BrN2O2
- Average molar mass
- 295.13 g/mol
Names & identifiers
- Preferred name
- 5-(3-bromo-phenyl)-1,4-dimethyl-1H-pyrazole-3-carboxylic acid
- IUPAC
- 5-(3-bromophenyl)-1,4-dimethylpyrazole-3-carboxylic acid
Names & synonyms
SCHEMBL2202109PRLGZHAPCSPYAC-UHFFFAOYSA-N5-(3-bromo-phenyl)-1,4-dimethyl-1H-pyrazole-3-carboxylic acid
Database identifiers
- PubChem CID
- 67315328
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Related reactions
2 records
Compound notes
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