Ethyl 1H-pyrazole-3-carboxylate

C₆H₈N₂O₂CAS 5932-27-4140.14 g/mol

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Properties

Molecular formula: C₆H₈N₂O₂
Molar mass: 140.14 g/mol
Exact mass: 140.0586 Da
logP: 0.59Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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

5932-27-4

SMILES

CCOC(=O)C1=CC=NN1

InChIKey

MSPOSRHJXMILNK-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-4-7-8-5/h3-4H,2H2,1H3,(H,7,8)

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Names and synonyms

1 names

Ethyl pyrazole-3-carboxylate

Work with Ethyl 1H-pyrazole-3-carboxylate

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 1H-pyrazole-3-carboxylate15366-34-462 % similar 3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-455 % similar Ethyl pyrrole-2-carboxylate2199-43-154 % similar Ethyl isonicotinate1570-45-253 % similar Ethyl 5-methylpyrrole-2-carboxylate3284-51-353 % similar Ethyl 5-amino-1H-pyrazole-3-carboxylate105434-90-053 % similar Diethyl terephthalate636-09-952 % similar Ethyl 1H-pyrrolo(3,2-b)pyridine-2-carboxylate17288-32-350 % similar

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

Same formula

3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-9 4,6-Diaminoresorcinol15791-87-4 Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-2 Methyl 1-methyl-1H-pyrazole-3-carboxylate17827-61-1 3-Imidazol-1-yl-propionic acid18999-45-6 Ethyl imidazole-4-carboxylate23785-21-9 5,6-Dimethyluracil26305-13-5 Ethyl 1H-imidazole-2-carboxylate33543-78-1

Elsewhere

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