3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one
Basic information
- CAS
1024724-31-9- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1Sc1ccccn1- InChIKey
GLUYPLYASBAFDJ-UHFFFAOYSA-N- Molecular formula
- C22H16N4O3S
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.09431156
Names & identifiers
- Preferred name
- 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one
- IUPAC
- 5-methyl-4-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-2-phenylpyrazol-3-one
Names & synonyms
3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one1024724-31-9DTXSID30402038DB-3314155-Methyl-4-({5-nitro-2-[(pyridin-2-yl)sulfanyl]phenyl}methylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
1024724-31-9- PubChem CID
- 4334865
- DTXSID
DTXSID30402038
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 714
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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