chempirical

4-Chloro-3-methyl-5-(trifluoromethyl)-1H-pyrazole

C5H4ClF3N2CAS 235106-12-4184.55 g/mol

Open in Covalent MOL file
HNNFFFCl
Alkyl halideAryl halide

Properties

Molecular formula
C5H4ClF3N2
Molar mass
184.55 g/mol
Exact mass
184.0015 Da
logP
2.39Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
235106-12-4
SMILES
Cc1[nH]nc(C(F)(F)F)c1Cl
InChIKey
KNTOBPVSOYISFT-UHFFFAOYSA-N
InChI
InChI=1S/C5H4ClF3N2/c1-2-3(6)4(11-10-2)5(7,8)9/h1H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 1H-Pyrazole, 4-chloro-3-methyl-5-(trifluoromethyl)-
  • 4-Chloro-3-methyl-5-trifluoromethylpyrazole
  • 4-Chloro-5-methyl-3-(trifluoromethyl)pyrazole
  • 4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazole

Work with 4-Chloro-3-methyl-5-(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

2,3-Dichloro-4-(trifluoromethyl)toluene115571-58-932 % similar 1,2-Dichloro-3-methyl-4-(trifluoromethyl)benzene115571-59-031 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook