1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-[3-(1-hydroxyimino-ethyl)-phenyl]-urea
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Basic information
- Standard SMILES
COc1ccc(NC(=O)Nc2cccc(C(C)=NO)c2)cc1-c1c(Br)cnn1C- InChIKey
COYPOZRBUOHOKT-UHFFFAOYSA-N- Molecular formula
- C20H20BrN5O3
- Average molar mass
- 458.3 g/mol
Names & identifiers
- Preferred name
- 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-[3-(1-hydroxyimino-ethyl)-phenyl]-urea
- IUPAC
- 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]urea
Names & synonyms
SCHEMBL5057321SCHEMBL29573256COYPOZRBUOHOKT-UHFFFAOYSA-N1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-[3-(1-hydroxyimino-ethyl)-phenyl]-urea
Database identifiers
- PubChem CID
- 73019359
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 592
Related reactions
3 records
Compound notes
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