5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester

C₆H₈N₂O₃CAS 51985-95-6156.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈N₂O₃
Molar mass: 156.14 g/mol
Exact mass: 156.0535 Da
logP: -0.50Crippen estimate
Polar surface area: 64.1 Å²
H-bond donors / acceptors: 1 / 3
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

51985-95-6

SMILES

CN1C(=O)C=C(N1)C(=O)OC

InChIKey

LWNUKBMQSHAGKD-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O3/c1-8-5(9)3-4(7-8)6(10)11-2/h3,7H,1-2H3

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Work with 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester

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

5-Amino-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester89088-56-250 % similar 1,3-Dimethyl-5-hydroxypyrazole5203-77-044 % similar 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol122431-37-244 % similar Methyl 1H-indole-2-carboxylate1202-04-643 % similar Dimethyl 1H-pyrazole-3,5-dicarboxylate4077-76-343 % similar Methyl 3-hydroxy-5-isoxazolecarboxylate10068-07-241 % similar Methyl 4-bromo-1H-pyrrole-2-carboxylate934-05-441 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-441 % similar

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

Same formula

Ethyl 2-amino-1,3-oxazole-5-carboxylate113853-16-0 Ethyl 2-amino-1,3-oxazole-4-carboxylate177760-52-0 Ethyl N-(2-cyanoacetyl)carbamate6629-04-5 Dimethylbarbituric acid769-42-6

Elsewhere

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