5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole

C₈H₁₁F₃N₂CAS 150433-22-0192.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₁F₃N₂
Molar mass: 192.19 g/mol
Exact mass: 192.0874 Da
logP: 2.73Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

150433-22-0

SMILES

CC(C)(C)C1=NNC(=C1)C(F)(F)F

InChIKey

YIEPWAOKLZRBEL-UHFFFAOYSA-N

InChI

InChI=1S/C8H11F3N2/c1-7(2,3)5-4-6(13-12-5)8(9,10)11/h4H,1-3H3,(H,12,13)

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Names and synonyms

1 names

5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole

Work with 5-(tert-Butyl)-3-(trifluoromethyl)-1H-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

3,5-Bis(trifluoromethyl)pyrazole14704-41-770 % similar 3-Methyl-5-(trifluoromethyl)pyrazole10010-93-245 % similar 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine238742-83-145 % similar 7-Chloro-2-(1,1-dimethylethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine175203-38-037 % similar 3-(Trifluoromethyl)pyrazole20154-03-436 % similar 6-(Trifluoromethyl)-2,3-dihydropyridazin-3-one174607-36-436 % similar 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid129768-28-135 % similar 2,4,6-Tri-tert-butylpyrimidine67490-21-534 % similar

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

Elsewhere

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