Basic information
- CAS
2008-84-6- Standard SMILES
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(C(=O)OCC)cc1- InChIKey
FKFWUHISCWCMPI-UHFFFAOYSA-N- Molecular formula
- C21H20N4O5
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.14336975
Names & identifiers
- Preferred name
- Ethyl 4-[[4-(ethoxycarbonyl)phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1h-pyrazole-3-carboxylate
- IUPAC
- ethyl 4-[(4-ethoxycarbonylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
- English name
- ethyl 4-[[4-(ethoxycarbonyl)phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate
- Molecular formula
- C21H20N4O5
- Molecular weight
- 408.41
Names & synonyms
2008-84-6ethyl 4-[[4-(ethoxycarbonyl)phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1h-pyrazole-3-carboxylateEthyl 4-((4-(ethoxycarbonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylateEINECS 217-921-0FKFWUHISCWCMPI-UHFFFAOYSA-NDTXSID201114179NS00046295Ethyl 4-[2-[4-(ethoxycarbonyl)phenyl]diazenyl]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylateEthyl 4-{[4-(ethoxycarbonyl)phenyl]diazenyl}-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate4-[(4-Ethoxycarbonylphenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester1H-Pyrazole-3-carboxylic acid, 4-[2-[4-(ethoxycarbonyl)phenyl]diazenyl]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester
Database identifiers
- CAS
2008-84-6- PubChem CID
- 102732
- DTXSID
DTXSID201114179- EC Number
- 217-921-0
- Nikkaji
- J199.817J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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