p-((3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)methylamino)benzoic acid ethyl ester
Basic information
- CAS
24664-52-6- Standard SMILES
CCOC(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)cc1- InChIKey
RLAOSFVYZNBJRV-UHFFFAOYSA-N- Molecular formula
- C20H19N3O3
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.14264148
Names & identifiers
- Preferred name
- p-((3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)methylamino)benzoic acid ethyl ester
- IUPAC
- ethyl 4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzoate
- English name
- Ethyl=4-[[(3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)methyl]amino]benzoate
- Molecular formula
- C20H19N3O3
- Molecular weight
- 349.38
Names & synonyms
24664-52-6p-((3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)methylamino)benzoic acid ethyl esterBRN 0698003Benzoic acid, p-((3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)methylamino)-, ethyl esterDTXSID201384186STK587609AKOS005510583(E)-ethyl 4-(((3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoateethyl 4-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoateEthyl=4-[[(3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)methyl]amino]benzoateBenzoic acid, 4-[[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]amino]-, ethyl ester
Database identifiers
- CAS
24664-52-6- PubChem CID
- 32587
- DTXSID
DTXSID201384186- Nikkaji
- J42.042E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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