3-(Trifluoromethyl)pyrazole

C₄H₃F₃N₂CAS 20154-03-4136.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₃F₃N₂
Molar mass: 136.08 g/mol
Exact mass: 136.0248 Da
logP: 1.43Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20154-03-4

SMILES

C1=C(NN=C1)C(F)(F)F

InChIKey

PYXNITNKYBLBMW-UHFFFAOYSA-N

InChI

InChI=1S/C4H3F3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)

Weigh it out

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

Work with 3-(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

2-Hydroxy-4-(trifluoromethyl)pyrimidine104048-92-245 % similar 4-(Trifluoromethyl)-2-pyrimidinethiol136547-17-645 % similar 3,5-Bis(trifluoromethyl)pyrazole14704-41-741 % similar 3-Chloro-1H-pyrazole14339-33-437 % similar 3-Bromo-1H-pyrazole14521-80-337 % similar 4-(Trifluoromethyl)pyridine3796-24-537 % similar 3-Iodo-1H-pyrazole4522-35-437 % similar 5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole150433-22-036 % similar

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

Same formula

5-(Trifluoromethyl)-1H-imidazole33468-69-8 4-(Trifluoromethyl)-1H-pyrazole52222-73-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook