5-(3,5-Difluorobenzyl)-1H-indazol-3-amine

C₁₄H₁₁F₂N₃CAS 1108745-30-7259.26 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₁₄H₁₁F₂N₃
Molar mass: 259.26 g/mol
Exact mass: 259.0921 Da
logP: 3.01Crippen estimate
Polar surface area: 54.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers

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

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

1108745-30-7

SMILES

C1=CC2=C(C=C1CC3=CC(=CC(=C3)F)F)C(=NN2)N

InChIKey

CZQCRNRCCQSJHD-UHFFFAOYSA-N

InChI

InChI=1S/C14H11F2N3/c15-10-4-9(5-11(16)7-10)3-8-1-2-13-12(6-8)14(17)19-18-13/h1-2,4-7H,3H2,(H3,17,18,19)

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Names and synonyms

1 names

5-[(3,5-Difluorophenyl)methyl]-1H-indazol-3-amine

Work with 5-(3,5-Difluorobenzyl)-1H-indazol-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

5-Bromo-1H-indazol-3-amine61272-71-748 % similar 3-Amino-5-nitroindazole41339-17-742 % similar 6-Bromo-1H-indazol-3-amine404827-77-638 % similar 5-(3,5-Difluorobenzyl)-2-fluorobenzonitrile1108745-25-038 % similar 5-Fluoro-1H-indazole-3-carboxylic acid1077-96-933 % similar 3,5-Difluorobenzylamine90390-27-533 % similar 1,1′-Methylenebis[4-fluorobenzene]457-68-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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