chempirical

1-Methyl-1H-imidazole-5-carboxylic acid

C5H6N2O2CAS 41806-40-0126.11 g/mol

Open in Covalent MOL file
NNOHO
Carboxylic acid

Properties

Molecular formula
C5H6N2O2
Molar mass
126.11 g/mol
Exact mass
126.0429 Da
logP
0.12Crippen 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
41806-40-0
SMILES
CN1C=NC=C1C(=O)O
InChIKey
PBEDVTDUVXFSMW-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c1-7-3-6-2-4(7)5(8)9/h2-3H,1H3,(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Methyl-1H-imidazole-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

Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-254 % similar 1-Methyl-1H-pyrrole-2-carboxylic acid6973-60-050 % similar 1-Methyl-1H-imidazole-4,5-dicarboxylic acid19485-38-249 % similar 1,3-Dimethylpyrazole-5-carboxylic acid5744-56-942 % similar 3-Methylhistidine368-16-142 % similar 5-Pyrimidinecarboxylic acid4595-61-341 % similar 5-Chloro-1-methyl-1H-imidazole872-49-141 % similar 1-Methyl-1H-imidazole-4-carboxylic acid41716-18-141 % similar

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

Same formula

Methyl 1H-pyrazole-3-carboxylate15366-34-4 1-Methyl-1H-pyrazole-5-carboxylic acid16034-46-1 Methyl 1H-imidazole-5-carboxylate17325-26-7 1-Methyl-1H-imidazole-2-carboxylic acid20485-43-2 1H-Imidazole-1-acetic acid22884-10-2 1-Methyl-1H-pyrazole-3-carboxylic acid25016-20-0 2-Furancarboxylic acid hydrazide3326-71-4 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-9

Elsewhere

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