ethyl 1-(2-oxidanylbutyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2-oxidanylbutyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-hydroxybutyl)-5-(isopropylcarbamoylamino)pyrazole-4-carboxylate CAS Name: 1-(2-hydroxybutyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-hydroxybutyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate Traditional Name: 1-(2-hydroxybutyl)-5-(isopropylcarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C14H24N4O4 MolecularWeight: 312.36476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)NC(C)C)O

Isomeric SMILES

CCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)NC(C)C)O

InChI

InChI=1S/C14H24N4O4/c1-5-10(19)8-18-12(17-14(21)16-9(3)4)11(7-15-18)13(20)22-6-2/h7,9-10,19H,5-6,8H2,1-4H3,(H2,16,17,21)