chempirical

4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid

C5H5BrN2O2CAS 84547-86-4205.01 g/mol

Open in Covalent MOL file
NNOOHBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C5H5BrN2O2
Molar mass
205.01 g/mol
Exact mass
203.9534 Da
logP
0.88Crippen estimate
Polar surface area
55.1 Ų
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
84547-86-4
SMILES
CN1C=C(C(=N1)C(=O)O)Br
InChIKey
LEEPGDCCHVRYHK-UHFFFAOYSA-N
InChI
InChI=1S/C5H5BrN2O2/c1-8-2-3(6)4(7-8)5(9)10/h2H,1H3,(H,9,10)

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Work with 4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid

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Similar compounds

1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9ci)78703-53-450 % similar 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid176969-34-946 % similar 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid113100-53-145 % similar 1-Methyl-1H-pyrazole-3-carboxylic acid25016-20-045 % similar 3-Bromopyridine-2-carboxylic acid30683-23-945 % similar 1-Methyl-1H-pyrazole-4-carboxylic acid5952-92-145 % similar 5-Bromo-2-methylpyrimidine-4-carboxylic acid100707-39-944 % similar 3,5-Dibromo-4-methylbenzoic acid67973-32-442 % similar

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

Same formula

Methyl 4-bromo-1H-pyrazole-3-carboxylate81190-89-8 5-Bromofuran-2-carbohydrazide89282-37-1

Elsewhere

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