4-[(4-Methylphenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
Basic information
- CAS
24749-15-3- Standard SMILES
Cc1ccc(N=Nc2c(-c3ccccc3)nn(C(N)=S)c2-c2ccccc2)cc1- InChIKey
FQQZWZHTYDGWNJ-UHFFFAOYSA-N- Molecular formula
- C23H19N5S
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.1361168
Names & identifiers
- Preferred name
- 4-[(4-Methylphenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
- IUPAC
- 4-[(4-methylphenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
Names & synonyms
NSC12864024749-15-3DTXSID50402292NSC-1286404-[(E)-(4-Methylphenyl)diazenyl]-3,5-diphenyl-1H-pyrazole-1-carbothioamide
Database identifiers
- CAS
24749-15-3- PubChem CID
- 4354885
- DTXSID
DTXSID50402292
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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