(4Z)-2-(4-ethylphenyl)-5-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]pyrazol-3-one
Basic information
- CAS
5838-52-8- Standard SMILES
CCc1ccc(N2N=C(C)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1- InChIKey
XTOZDLHZXBXTAO-JWGURIENSA-N- Molecular formula
- C23H25N3O2
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.19467705
Names & identifiers
- Preferred name
- (4Z)-2-(4-ethylphenyl)-5-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]pyrazol-3-one
- IUPAC
- (4Z)-2-(4-ethylphenyl)-5-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]pyrazol-3-one
Names & synonyms
5838-52-8(4Z)-2-(4-ethylphenyl)-5-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]pyrazol-3-oneZINC05046730DTXSID20416664SR-01000221501SR-01000221501-1(4Z)-2-(4-Ethylphenyl)-5-methyl-4-{[4-(morpholin-4-yl)phenyl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
5838-52-8- PubChem CID
- 5337112
- DTXSID
DTXSID20416664
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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