3-(4-Fluorophenyl)-1H-pyrazol-5-amine

C₉H₈FN₃CAS 72411-52-0177.18 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₉H₈FN₃
Molar mass: 177.18 g/mol
Exact mass: 177.0702 Da
Melting point: 154 °C
logP: 1.63Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 3 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed86.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage86.4% of notifiers
H319 Causes serious eye irritation13.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 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+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

72411-52-0

SMILES

N=c1cc(-c2ccc(F)cc2)[nH][nH]1

InChIKey

QYEHDCXFXONDPV-UHFFFAOYSA-N

InChI

InChI=1S/C9H8FN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)

Weigh it out

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Names and synonyms

6 names

5-(4-Fluorophenyl)-1H-pyrazol-3-amine
1H-Pyrazol-3-amine, 5-(4-fluorophenyl)-
5-(4-Fluorophenyl)-1H-pyrazol-3-ylamine
3-Amino-5-(4-fluorophenyl)-1H-pyrazole
5-(4-Fluorophenyl)-3-aminopyrazole
3-Amino-5-(4-fluorophenyl)pyrazole

Work with 3-(4-Fluorophenyl)-1H-pyrazol-5-amine

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-Amino-5-phenylpyrazole1572-10-761 % similar 5-(4-Bromophenyl)-1H-pyrazol-3-amine78583-82-160 % similar 5-(4-Methylphenyl)-1H-pyrazol-3-amine78597-54-360 % similar 4,4′-Difluorobiphenyl398-23-244 % similar 3-(4-Fluorophenyl)-1H-pyrazole154258-82-942 % similar 4-Fluorobiphenyl324-74-338 % similar 1,4-Difluorobenzene540-36-338 % similar 4′-Fluoro[1,1′-biphenyl]-4-amine324-93-635 % similar

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

Elsewhere

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