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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > [4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4h-pyrazol-1-yl]methanone
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > [4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4h-pyrazol-1-yl]methanone
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > [4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4h-pyrazol-1-yl]methanone
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > [4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4h-pyrazol-1-yl]methanone
organic aromatic compound > aromatic carboxylic acid > benzoic acids > [4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4h-pyrazol-1-yl]methanone

Preferred term

[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4h-pyrazol-1-yl]methanone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H18BrF3N4O2

inchi

  • InChI=1S/C18H18BrF3N4O2/c1-10-8-17(28,18(20,21)22)26(23-10)16(27)14-6-4-13(5-7-14)9-25-12(3)15(19)11(2)24-25/h4-7,28H,8-9H2,1-3H3

inchikey

  • MUDROFVVGAGUDR-UHFFFAOYSA-N

mass

  • 459.261

monoisotopicmass

  • 458.05652

smiles

  • CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)Br)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111195

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