4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid

C₆H₇BrN₂O₂CAS 5775-88-2219.04 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₇BrN₂O₂
Molar mass: 219.04 g/mol
Exact mass: 217.9691 Da
logP: 1.19Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5775-88-2

SMILES

CC1=NN(C(=C1Br)C(=O)O)C

InChIKey

ZUEAEVZRYGUFPS-UHFFFAOYSA-N

InChI

InChI=1S/C6H7BrN2O2/c1-3-4(7)5(6(10)11)9(2)8-3/h1-2H3,(H,10,11)

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Work with 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid

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

1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-753 % similar 4-Bromo-1,3,5-trimethylpyrazole15801-69-150 % similar 4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid127892-62-043 % similar 1,3-Dimethylpyrazole-5-carboxylic acid5744-56-941 % similar 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-241 % similar 1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9ci)78703-53-441 % similar 4-Chloro-1,3-dimethylpyrazolo[3,4-B]pyridine-5-carboxylic acid175201-94-241 % similar 4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid75092-30-740 % similar

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

Same formula

5-Bromo-2,4-dimethoxypyrimidine56686-16-9

Elsewhere

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