chempirical

Ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate

C12H12FN3O2CAS 138907-68-3249.25 g/mol

Open in Covalent MOL file
OONNFNH2
Aryl halideEsterPrimary amine

Properties

Molecular formula
C12H12FN3O2
Molar mass
249.25 g/mol
Exact mass
249.0914 Da
logP
1.77Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
138907-68-3
SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)N
InChIKey
RPPPCKSHIYWAPW-UHFFFAOYSA-N
InChI
InChI=1S/C12H12FN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3

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Names and synonyms

1 names
  • Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

Work with Ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-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 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-076 % similar 1-(4-Fluorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester175137-38-969 % similar Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate31037-02-258 % similar Ethyl 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate112055-34-253 % similar Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate112055-36-453 % similar Ethyl 4-fluorobenzoate451-46-750 % similar Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate175137-35-648 % similar Ethyl 2,4-difluorobenzoate108928-00-348 % similar

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

Elsewhere

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