Chemical Properties of Ethyl 3-amino-2-phenylpyrazole-4-carboxylate (CAS 16078-71-0)

Ethyl 3-amino-2-phenylpyrazole-4-carboxylate

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
InChI Key
AYJIUOZKKTUKKD-UHFFFAOYSA-N
Formula
C12H13N3O2
SMILES
CCOC(=O)c1cnn(-c2ccccc2)c1N
Molecular Weight1
231.25
CAS
16078-71-0
Other Names
  • 3-Amino-4-carbethoxy-2-phenylpyrazole
  • 5-Amino-4-carboethoxy-1-phenylpyrazole
  • 1H-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
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Physical Properties

Property Value Unit Source
ω 0.7146 Relay (1.0) Calculated Property
ΔfH°gas -115.56 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 90.06 kJ/mol Relay (1.0) Calculated Property
IE 7.82 eV Relay (1.0) Calculated Property
log10WS -3.36 Relay (1.0) Calculated Property
logPoct/wat 1.631 Crippen Calculated Property
McVol 174.100 ml/mol McGowan Calculated Property
Pc 2765.96 kPa Relay (1.0-beta) Calculated Property
Tboil 644.82 K Relay (1.0) Calculated Property
Tc 907.43 K Relay (1.0) Calculated Property
Tfus 411.69 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

5-Amino-1-phenylpyrazole-4-carboxamide. adenosine-2'-monophosphate, TMS. cis-1,2-Tetralinediol, ferrocenylboronate. Hydrastine. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. Cytidine, metho-oxime-TMS derivative. guanosine, TMS. Noscapine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Butorphanol di-TMS derivative. Tazettine. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. guanosine-2'(3')-monophosphate, TMS.

Find more compounds similar to Ethyl 3-amino-2-phenylpyrazole-4-carboxylate.

Sources

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