Basic information
- Standard SMILES
CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C- InChIKey
JHVCXVCFVRQYKH-UHFFFAOYSA-N- Molecular formula
- C14H15BrN2O2
- Average molar mass
- 323.18 g/mol
Names & identifiers
- Preferred name
- ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxylate
Names & synonyms
ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate113808-82-5MFCD11973596ethyl 1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxylateSCHEMBL6070076JHVCXVCFVRQYKH-UHFFFAOYSA-NEthyl 1-(4-bromophenyl)-3,5-dimethyl-pyrazole-4-carboxylateAKOS027447950AS-8377CS-0329559ethyl1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 9966976
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Related reactions
2 records
Compound notes
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