7-(1-ethyl-3-methyl-pyrazol-4-yl)-N-octadecyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 7-(1-ethyl-3-methyl-pyrazol-4-yl)-N-octadecyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 7-(1-ethyl-3-methyl-pyrazol-4-yl)-N-octadecyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 7-(1-ethyl-3-methyl-4-pyrazolyl)-N-octadecyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 7-(1-ethyl-3-methylpyrazol-4-yl)-N-octadecylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 7-(1-ethyl-3-methyl-pyrazol-4-yl)-N-stearyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C31H50N6O MolecularWeight: 522.7683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C2N=CC=C(N2N=C1)C3=CN(N=C3C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C2N=CC=C(N2N=C1)C3=CN(N=C3C)CC

InChI

InChI=1S/C31H50N6O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-33-31(38)27-24-34-37-29(21-23-32-30(27)37)28-25-36(5-2)35-26(28)3/h21,23-25H,4-20,22H2,1-3H3,(H,33,38)