Basic information
- CAS
27218-50-4- Standard SMILES
COc1ccc(-c2n[nH]c(C(F)(F)F)c2N=NN(C)C)cc1OC- InChIKey
ZJVJCEUJDXJKSQ-UHFFFAOYSA-N- Molecular formula
- C14H16F3N5O2
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 343.12560926
Names & identifiers
- Preferred name
- N-[[3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]-N-methylmethanamine
- IUPAC
- N-[[3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]-N-methylmethanamine
Names & synonyms
NSC13124827218-50-4DTXSID80419171NSC-131248(4E)-3-(3,4-Dimethoxyphenyl)-4-(3,3-dimethyltriazan-1-ylidene)-5-(trifluoromethyl)-4H-pyrazole
Database identifiers
- CAS
27218-50-4- PubChem CID
- 279934
- DTXSID
DTXSID80419171
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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