chempirical

Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate

C12H13N3O2CAS 16078-71-0231.26 g/mol

Open in Covalent MOL file
OONNNH2
EsterPrimary amine

Properties

Molecular formula
C12H13N3O2
Molar mass
231.26 g/mol
Exact mass
231.1008 Da
Melting point
103–105 °C
logP
1.63Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
16078-71-0
SMILES
CCOC(=O)c1cnn(-c2ccccc2)c1N
InChIKey
AYJIUOZKKTUKKD-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3

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Names and synonyms

7 names
  • 1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
  • Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
  • 5-Amino-4-ethoxycarbonyl-1-phenylpyrazole
  • Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
  • NSC 221275
  • NSC 75788
  • 5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester

Work with Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate

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 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate112055-34-265 % similar Diethyl phthalate84-66-251 % similar Ethyl 2-aminobenzoate87-25-251 % similar 1-(4-Fluorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester175137-38-951 % similar Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate112055-36-450 % similar Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid ethyl ester115932-00-847 % similar Ethyl benzoate93-89-047 % similar Ethyl 2-(aminosulfonyl)benzoate59777-72-946 % similar

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

Elsewhere

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