4-((3-Phenyl-1,2,4-thiadiazol-5-yl)azo)-3-methyl-1-phenyl-4,5-dihydro-5-oxo-1H-pyrazole
Basic information
- CAS
4709-94-8- Standard SMILES
Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1nc(-c2ccccc2)ns1- InChIKey
CEPPFFUSGFFUDO-UHFFFAOYSA-N- Molecular formula
- C18H14N6OS
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.09498026
Names & identifiers
- Preferred name
- 4-((3-Phenyl-1,2,4-thiadiazol-5-yl)azo)-3-methyl-1-phenyl-4,5-dihydro-5-oxo-1H-pyrazole
- IUPAC
- 5-methyl-2-phenyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]-1H-pyrazol-3-one
Names & synonyms
EINECS 225-197-24-((3-Phenyl-1,2,4-thiadiazol-5-yl)azo)-3-methyl-1-phenyl-4,5-dihydro-5-oxo-1H-pyrazole2,4-Dihydro-5-methyl-2-phenyl-4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)-3H-pyrazol-3-one
Database identifiers
- CAS
4709-94-8- PubChem CID
- 78440
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 582
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