chempirical

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

C9H8FN3CAS 72411-52-0177.18 g/mol

Open in Covalent MOL file
HNFNHHN
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 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
1

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)

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Names and synonyms

5 names
  • 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 5-(4-Fluorophenyl)-1H-pyrazol-3-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-Fluorobiphenyl324-74-338 % similar 1,4-Difluorobenzene540-36-338 % similar 4′-Fluoro[1,1′-biphenyl]-4-amine324-93-635 % similar 4′-Fluoro[1,1′-biphenyl]-4-ol324-94-735 % similar 4-Bromo-4′-fluoro-1,1′-biphenyl398-21-035 % similar

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

Elsewhere

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