3-(4-Fluorophenyl)-1H-pyrazole

C₉H₇FN₂CAS 154258-82-9162.17 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₉H₇FN₂
Molar mass: 162.17 g/mol
Exact mass: 162.0593 Da
logP: 2.22Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed95.1% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage95.1% 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

154258-82-9

SMILES

C1=CC(=CC=C1C2=CC=NN2)F

InChIKey

STTNBHIFTZEPSH-UHFFFAOYSA-N

InChI

InChI=1S/C9H7FN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)

Weigh it out

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

Work with 3-(4-Fluorophenyl)-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-(4-Chlorophenyl)-1H-pyrazole59843-58-259 % similar 3-(4-Bromophenyl)-1H-pyrazole73387-46-959 % similar 3-(4-Nitrophenyl)-1H-pyrazole20583-31-749 % similar 4-(1H-Pyrazol-5-yl)benzoic acid208511-67-549 % similar 3-(1H-Pyrazol-3-yl)pyridine45887-08-947 % similar 4,4′-Difluorobiphenyl398-23-246 % similar 5-(4-Fluorophenyl)-1H-pyrazol-3-amine72411-52-042 % similar 3-(2H-Pyrazol-3-yl)benzonitrile149739-51-539 % similar

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

Same formula

1-(4-Fluorophenyl)imidazole21441-24-7 1-(3-Fluorophenyl)imidazole25372-42-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook