Basic information
- Standard SMILES
CCOC(=O)NC(=Nc1ccc(Br)cc1)n1cc(C(=O)OCC)cn1- InChIKey
UXJZJFGSKMUBGE-UHFFFAOYSA-N- Molecular formula
- C16H17BrN4O4
- Average molar mass
- 409.23 g/mol
Names & identifiers
- Preferred name
- 1-[(4-bromo-phenylimino)-ethoxycarbonylamino-methyl]-1H-pyrazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[N'-(4-bromophenyl)-N-ethoxycarbonylcarbamimidoyl]pyrazole-4-carboxylate
Names & synonyms
SCHEMBL3035503SCHEMBL3035506UXJZJFGSKMUBGE-UHFFFAOYSA-N1-[(4-bromo-phenylimino)-ethoxycarbonylamino-methyl]-1H-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 136337168
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 495
Related reactions
2 records
Compound notes
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