chempirical

Ethyl 3-indazolecarboxylate

C10H10N2O2CAS 4498-68-4190.20 g/mol

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OONNH
Ester

Properties

Molecular formula
C10H10N2O2
Molar mass
190.20 g/mol
Exact mass
190.0742 Da
Melting point
136–137 °C
logP
1.74Crippen estimate
Polar surface area
55.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
4498-68-4
SMILES
CCOC(=O)c1n[nH]c2ccccc12
InChIKey
YLKPTYMNELPKOL-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9/h3-6H,2H2,1H3,(H,11,12)

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Names and synonyms

4 names
  • 1H-Indazole-3-carboxylic acid, ethyl ester
  • NSC 179807
  • 3-Ethoxycarbonylindazole
  • Ethyl 1H-indazole-3-carboxylate

Reactions

Work with Ethyl 3-indazolecarboxylate

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

Ethyl indole-3-carboxylate776-41-056 % similar Indazole-3-carboxylic acid4498-67-351 % similar Diethyl phthalate84-66-250 % similar Ethyl benzoate93-89-049 % similar Ethyl 2-pyridinecarboxylate2524-52-947 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-346 % similar 4-Bromoindole-2-carboxylic acid ethyl ester103858-52-246 % similar 3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-445 % similar

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

Same formula

Methyl 4-amino-6-indolecarboxylate121561-15-7 2,3-Dimethyl-5-nitro-1H-indole21296-94-6 1H-Benzimidazole-2-propanoic acid23249-97-0 2-Cyano-D-phenylalanine263396-41-4 3-Cyano-D-phenylalanine263396-43-6 5-(Phenylmethyl)-2,4-imidazolidinedione3530-82-3 2,3-Dimethyl-7-nitro-1H-indole41018-86-4 1-(Phenylmethyl)-2,4-imidazolidinedione6777-05-5

Elsewhere

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