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

C6H7BrN2O2CAS 5775-88-2219.04 g/mol

Open in Covalent MOL file
NNBrOOH
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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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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