chempirical

1-Boc-4-bromopyrazole

C8H11BrN2O2CAS 1150271-23-0247.09 g/mol

Open in Covalent MOL file
OONNBr
Aryl halide

Properties

Molecular formula
C8H11BrN2O2
Molar mass
247.09 g/mol
Exact mass
246.0004 Da
logP
2.43Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
1150271-23-0
SMILES
CC(C)(C)OC(=O)N1C=C(C=N1)Br
InChIKey
IQEFCRDQVLIADR-UHFFFAOYSA-N
InChI
InChI=1S/C8H11BrN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3

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Work with 1-Boc-4-bromopyrazole

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

1,1-Dimethylethyl 1H-1,2,4-triazole-1-carboxylate41864-24-850 % similar 1-(tert-Butoxycarbonyl)imidazole49761-82-240 % similar 1,1-Dimethylethyl 5-amino-1H-indazole-1-carboxylate129488-10-439 % similar tert-Butyl N-(4-bromophenyl)-carbamate131818-17-238 % similar 4-Bromo-1-methyl-1H-pyrazole15803-02-837 % similar tert-Butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate1094070-77-537 % similar Imidodicarbonic acid, 2-[5-bromo-3-[[(4-methylphenyl)sulfonyl]oxy]-2-pyridinyl]-, 1,3-bis(1,1-dimethylethyl) ester1803573-21-833 % similar 1,1-Dimethylethyl 5-amino-1H-indole-1-carboxylate166104-20-733 % similar

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

Elsewhere

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