{4-[(E)-(4'-Amino[1,1'-biphenyl]-4-yl)diazenyl]-3,5-dimethyl-1H-pyrazol-1-yl}(pyridin-4-yl)methanone
Basic information
- CAS
75304-77-7- Standard SMILES
Cc1nn(C(=O)c2ccncc2)c(C)c1N=Nc1ccc(-c2ccc(N)cc2)cc1- InChIKey
YIDXSVDWBPFDOZ-UHFFFAOYSA-N- Molecular formula
- C23H20N6O
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.16985928
Names & identifiers
- Preferred name
- {4-[(E)-(4'-Amino[1,1'-biphenyl]-4-yl)diazenyl]-3,5-dimethyl-1H-pyrazol-1-yl}(pyridin-4-yl)methanone
- IUPAC
- [4-[[4-(4-aminophenyl)phenyl]diazenyl]-3,5-dimethylpyrazol-1-yl]-pyridin-4-ylmethanone
Names & synonyms
NSC29572575304-77-7DTXSID20315648NSC-295725{4-[(E)-(4'-Amino[1,1'-biphenyl]-4-yl)diazenyl]-3,5-dimethyl-1H-pyrazol-1-yl}(pyridin-4-yl)methanone[4-[(E)-[4-(4-aminophenyl)phenyl]azo]-3,5-dimethyl-pyrazol-1-yl]-(4-pyridyl)methanone{4'-[(E)-(1-Isonicotinoyl-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl]biphenyl-4-yl}amine
Database identifiers
- CAS
75304-77-7- PubChem CID
- 326047
- DTXSID
DTXSID20315648
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 591
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Related reactions
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Compound notes
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