1-Acetyl-5(3)-phenyl-3(5)-(trifluoromethyl)pyrazole

C₁₂H₉F₃N₂OCAS 198348-94-6254.21 g/mol

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Properties

Molecular formula: C₁₂H₉F₃N₂O
Molar mass: 254.21 g/mol
Exact mass: 254.0667 Da
logP: 3.23Crippen estimate
Polar surface area: 34.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

198348-94-6

SMILES

CC(=O)N1C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F

InChIKey

ZXYHOZFIJPZMTE-UHFFFAOYSA-N

InChI

InChI=1S/C12H9F3N2O/c1-8(18)17-11(12(13,14)15)7-10(16-17)9-5-3-2-4-6-9/h2-7H,1H3

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Names and synonyms

1 names

1-[3-Phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone

Work with 1-Acetyl-5(3)-phenyl-3(5)-(trifluoromethyl)pyrazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole134947-25-446 % similar 3,5-Bis(trifluoromethyl)-1-phenylpyrazole140647-19-436 % similar 5-Amino-1-methyl-3-phenylpyrazole10199-50-534 % similar 4-(Trifluoromethyl)acetophenone709-63-733 % similar Phtpp805239-56-933 % similar 2'-(Trifluoromethyl)acetophenone17408-14-933 % similar 4′-Trifluoromethylbenzophenone728-86-933 % similar 4-Acetylbiphenyl92-91-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methylacrylamide90357-53-2

Elsewhere

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