chempirical

4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid

C5H5IN2O2CAS 75092-30-7252.01 g/mol

Open in Covalent MOL file
NNIOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C5H5IN2O2
Molar mass
252.01 g/mol
Exact mass
251.9396 Da
logP
0.72Crippen 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
75092-30-7
SMILES
CN1C(=C(C=N1)I)C(=O)O
InChIKey
SZRMOKQNOJYMNK-UHFFFAOYSA-N
InChI
InChI=1S/C5H5IN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10)

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Work with 4-Iodo-1-methyl-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

4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid methyl ester75092-26-158 % similar 1-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid119083-00-045 % similar 1-Methyl-1H-pyrazole-5-carboxylic acid16034-46-145 % similar 1-Methyl-1H-imidazole-4,5-dicarboxylic acid19485-38-241 % similar 1-Methyl-1H-pyrazole-4-carboxylic acid5952-92-141 % similar 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid5775-88-240 % similar 1,3-Dimethylpyrazole-5-carboxylic acid5744-56-939 % similar 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-239 % similar

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

Elsewhere

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