{4-[(E)-(3-Chlorophenyl)diazenyl]-3,5-dimethyl-1H-pyrazol-1-yl}(pyridin-4-yl)methanone
Basic information
- CAS
75304-66-4- Standard SMILES
Cc1nn(C(=O)c2ccncc2)c(C)c1N=Nc1cccc(Cl)c1- InChIKey
LGAGMXCJMMKHFX-UHFFFAOYSA-N- Molecular formula
- C17H14ClN5O
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.0886878
Names & identifiers
- Preferred name
- {4-[(E)-(3-Chlorophenyl)diazenyl]-3,5-dimethyl-1H-pyrazol-1-yl}(pyridin-4-yl)methanone
- IUPAC
- [4-[(3-chlorophenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-pyridin-4-ylmethanone
Names & synonyms
NSC29572475304-66-4DTXSID60315647NSC-295724{4-[(E)-(3-Chlorophenyl)diazenyl]-3,5-dimethyl-1H-pyrazol-1-yl}(pyridin-4-yl)methanone[4-[(E)-(3-chlorophenyl)azo]-3,5-dimethyl-pyrazol-1-yl]-(4-pyridyl)methanone4-({4-[(E)-(3-Chlorophenyl)diazenyl]-3,5-dimethyl-1H-pyrazol-1-yl}carbonyl)pyridine
Database identifiers
- CAS
75304-66-4- PubChem CID
- 326046
- DTXSID
DTXSID60315647
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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