Basic information
- CAS
16926-70-8- Standard SMILES
CCOC(=O)c1ccc(N=NC2C(=O)N(c3ccccc3)N=C2C)cc1- InChIKey
JBMWOJWZSMCBJJ-UHFFFAOYSA-N- Molecular formula
- C19H18N4O3
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.13789045
Names & identifiers
- Preferred name
- Benzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-, ethyl ester
- IUPAC
- ethyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
Names & synonyms
DTXSID20884945Benzoic acid, 4-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-, ethyl esterBenzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-, ethyl esterRefChem:565942DTXCID80102436216926-70-8ethyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoateBenzoic acid, 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-, ethyl esterBenzoic acid, 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-, ethyl esterethyl 4-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoateEthyl 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]benzoateEINECS 240-992-4
Show more names
NSC 114439BRN 0898877Ethyl 4-((3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl)benzoateJBMWOJWZSMCBJJ-UHFFFAOYSA-NNSC114439p-((3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)benzoic acid ethyl esterUNII-9K28F5423WEthyl 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoate
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 575
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-, ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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