1-(2-oxidanyl-2-phenyl-ethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-oxidanyl-2-phenyl-ethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylic acid Openeye Name: 1-(2-hydroxy-2-phenyl-ethyl)-5-(isopropylcarbamoylamino)pyrazole-4-carboxylic acid CAS Name: 1-(2-hydroxy-2-phenylethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylic acid Traditional Name: 1-(2-hydroxy-2-phenyl-ethyl)-5-(isopropylcarbamoylamino)pyrazole-4-carboxylic acid Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=C(C=NN1CC(C2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

CC(C)NC(=O)NC1=C(C=NN1CC(C2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C16H20N4O4/c1-10(2)18-16(24)19-14-12(15(22)23)8-17-20(14)9-13(21)11-6-4-3-5-7-11/h3-8,10,13,21H,9H2,1-2H3,(H,22,23)(H2,18,19,24)