5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine

C₁₃H₁₇N₃CAS 126208-61-5215.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₇N₃
Molar mass: 215.30 g/mol
Exact mass: 215.1422 Da
logP: 2.75Crippen estimate
Polar surface area: 43.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

126208-61-5

SMILES

CC(C)(C)C1=NN(C(=C1)N)C2=CC=CC=C2

InChIKey

GFWSTBBSSBVVQP-UHFFFAOYSA-N

InChI

InChI=1S/C13H17N3/c1-13(2,3)11-9-12(14)16(15-11)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3

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Names and synonyms

1 names

3-tert-Butyl-1-phenyl-1H-pyrazol-5-amine

Work with 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine

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-Amino-3-methyl-1-phenylpyrazole1131-18-658 % similar 1,3-Diphenyl-1H-pyrazol-5-amine5356-71-854 % similar 3-(1,1-Dimethylethyl)-1-methyl-1H-pyrazol-5-amine118430-73-253 % similar 3-Cyclopropyl-1-phenyl-1H-pyrazol-5-amine175137-45-850 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-438 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-537 % similar 5-Amino-1-methyl-3-phenylpyrazole10199-50-536 % similar 4-[6-(1,1-Dimethylethyl)-3H-pyrazolo[1,5-B][1,2,4]triazol-2-yl]benzenamine152828-25-635 % similar

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

Elsewhere

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