4-Fluoro-1H-pyrazole

C₃H₃FN₂CAS 35277-02-286.07 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₃H₃FN₂
Molar mass: 86.07 g/mol
Exact mass: 86.0280 Da
logP: 0.55Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

35277-02-2

SMILES

C1=C(C=NN1)F

InChIKey

RYXJXPHWRBWEEB-UHFFFAOYSA-N

InChI

InChI=1S/C3H3FN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

Weigh it out

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

Work with 4-Fluoro-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

4-(Trifluoromethyl)-1H-pyrazole52222-73-842 % similar 1,4-Di(1H-pyrazol-4-yl)benzene1036248-62-042 % similar 1,3,5-Tris(pyrazol-4-yl)benzene1325728-09-342 % similar 4-Chloropyrazole15878-00-942 % similar 4-Bromopyrazole2075-45-842 % similar 1H-Pyrazol-4-amine28466-26-442 % similar 4-Iodopyrazole3469-69-042 % similar 4-Methylpyrazole7554-65-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Fluoroimidazole30086-17-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook