Solvent Yellow 23
Basic information
- CAS
82944-34-1- Standard SMILES
Cc1ccc(N=Nc2c(C)[nH]n(-c3ccccc3)c2=O)cc1[N+](=O)[O-]- InChIKey
QRWZCPYUBQABBG-UHFFFAOYSA-N- Molecular formula
- C17H15N5O3
- Average molar mass
- 337.33 g/mol
- Monoisotopic mass
- 337.11748936
Names & identifiers
- Preferred name
- Solvent Yellow 23
- IUPAC
- 5-methyl-4-[(4-methyl-3-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one
Names & synonyms
Solvent Yellow 23(4Z)-5-methyl-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-oneSTK042979AKOS000486697AKOS000582468ST036561AG-690/11088033Q272772365-methyl-4-[(4-methyl-3-nitrophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one(4E)-3-methyl-1-phenyl-1H-pyrazole-4,5-dione 4-[(4-methyl-3-nitrophenyl)hydrazone]3-methyl-1-phenyl-1H-pyrazole-4,5-dione 4-({3-nitro-4-methylphenyl}hydrazone)3-methyl-4-{[(4-methyl-3-nitrophenyl)amino]azamethylene}-1-phenyl-1,2-diazolin -5-one
Show more names
5-methyl-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
82944-34-1- PubChem CID
- 708170
- UNII
- EM7G900253
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 592
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Compound notes
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