5-((4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-2-furancarboxylic acid

C11H11BrN2O3CAS 306935-28-4299.12 g/mol

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NNOOHOBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C11H11BrN2O3
Molar mass
299.12 g/mol
Exact mass
297.9953 Da
logP
2.60Crippen estimate
Polar surface area
68.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

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

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Identifiers

CAS number
306935-28-4
SMILES
Cc1nn(Cc2ccc(C(=O)O)o2)c(C)c1Br
InChIKey
TXZIGOBIIZTCGA-UHFFFAOYSA-N
InChI
InChI=1S/C11H11BrN2O3/c1-6-10(12)7(2)14(13-6)5-8-3-4-9(17-8)11(15)16/h3-4H,5H2,1-2H3,(H,15,16)

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Names and synonyms

2 names
  • 5-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furancarboxylic acid
  • 2-Furancarboxylic acid, 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-

Work with 5-((4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-2-furancarboxylic 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

2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide175137-56-144 % similar 5-(Hydroxymethyl)-2-furancarboxylic acid6338-41-644 % similar 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid5775-88-240 % similar 5-(Pyrrolidin-1-ylmethyl)furan-2-carboxylic acid400750-49-440 % similar 5-Methyl-2-furoic acid1917-15-340 % similar 5-Bromo-2-furancarboxylic acid585-70-640 % similar 5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid301353-36-639 % similar 2,5-Furandicarboxylic acid3238-40-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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