chempirical

4-(Trifluoromethyl)-1H-pyrazole

C4H3F3N2CAS 52222-73-8136.08 g/mol

Open in Covalent MOL file
NHNFFF
Alkyl halide

Properties

Molecular formula
C4H3F3N2
Molar mass
136.08 g/mol
Exact mass
136.0248 Da
logP
1.43Crippen estimate
Polar surface area
28.7 Ų
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
52222-73-8
SMILES
C1=C(C=NN1)C(F)(F)F
InChIKey
KDEJQUNODYXYBJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H3F3N2/c5-4(6,7)3-1-8-9-2-3/h1-2H,(H,8,9)

Weigh it out

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Work with 4-(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)pyridine20857-47-042 % similar 4-Iodopyrazole3469-69-042 % similar 4-Fluoro-1H-pyrazole35277-02-242 % similar 2-Fluoro-5-(trifluoromethyl)pyridine69045-82-540 % similar 2-Chloro-5-(trifluoromethyl)pyrimidine69034-12-439 % similar 1,4-Bis(trifluoromethyl)benzene433-19-239 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-739 % similar 2-Bromo-5-(trifluoromethyl)pyridine50488-42-139 % similar

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

Same formula

3-(Trifluoromethyl)pyrazole20154-03-4 5-(Trifluoromethyl)-1H-imidazole33468-69-8

Elsewhere

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