Basic information
- Standard SMILES
CCOC(=O)c1cnn(C(=N)Nc2c(Br)cc(F)cc2Br)c1- InChIKey
VWEGHFMNPRSLEF-UHFFFAOYSA-N- Molecular formula
- C13H11Br2FN4O2
- Average molar mass
- 434.06 g/mol
- Monoisotopic mass
- 431.92328
Names & identifiers
- Preferred name
- 1-[N-(2,6-Dibromo-4-fluoro-phenyl)-carbamimidoyl]-1H-pyrazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[N'-(2,6-dibromo-4-fluorophenyl)carbamimidoyl]pyrazole-4-carboxylate
Names & synonyms
SCHEMBL1192757VWEGHFMNPRSLEF-UHFFFAOYSA-N1-[N-(2,6-Dibromo-4-fluoro-phenyl)-carbamimidoyl]-1H-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 66937210
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
Related reactions
6 records
Compound notes
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