chempirical

Ethyl 5-amino-1-[(2-fluorophenyl)methyl]-1H-pyrazole-3-carboxylate

C13H14FN3O2CAS 256504-39-9263.27 g/mol

Open in Covalent MOL file
OONH2NFN
Aryl halideEsterPrimary amine

Properties

Molecular formula
C13H14FN3O2
Molar mass
263.27 g/mol
Exact mass
263.1070 Da
logP
1.83Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
256504-39-9
SMILES
CCOC(=O)c1cc(N)n(Cc2ccccc2F)n1
InChIKey
DVWGQBBJLJWPKJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H14FN3O2/c1-2-19-13(18)11-7-12(15)17(16-11)8-9-5-3-4-6-10(9)14/h3-7H,2,8,15H2,1H3

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Names and synonyms

2 names
  • 1H-Pyrazole-3-carboxylic acid, 5-amino-1-[(2-fluorophenyl)methyl]-, ethyl ester
  • Ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate

Work with Ethyl 5-amino-1-[(2-fluorophenyl)methyl]-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

Ethyl 2-pyridinecarboxylate2524-52-942 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-341 % similar Ethyl 3,4-difluorobenzoate144267-96-941 % similar Diethyl 2,4-pyridinedicarboxylate41438-38-440 % similar Ethyl 3-aminobenzoate582-33-240 % similar Ethyl 2,4-difluorobenzoate108928-00-339 % similar Ethyl 2-(2,4-difluorophenyl)-4-thiazolecarboxylate175276-93-439 % similar Ethyl 5-phenylisoxazole-3-carboxylate7063-99-239 % similar

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

Elsewhere

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