Basic information
- Standard SMILES
COc1c(Br)cccc1NN=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C- InChIKey
UYLXMWOGXCVTHV-UHFFFAOYSA-N- Molecular formula
- C19H19BrN4O2
- Average molar mass
- 415.3 g/mol
- Monoisotopic mass
- 414.06914
Names & identifiers
- IUPAC
- 4-[(3-bromo-2-methoxyphenyl)hydrazinylidene]-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-one
Database identifiers
- PubChem CID
- 89580347
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 594
Related reactions
5 records
Compound notes
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