7-methyl-5-[4-(3-methylbutoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: 7-methyl-5-[4-(3-methylbutoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: 5-(4-isopentyloxyphenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 7-methyl-5-[4-(3-methylbutoxy)phenyl]-2-pyrazolo[1,5-a]pyrimidinecarboxylate IUPAC Name: 7-methyl-5-[4-(3-methylbutoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 5-(4-isoamoxyphenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-2-carboxylate Formula: C19H20N3O3- MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC(=NN12)C(=O)[O-])C3=CC=C(C=C3)OCCC(C)C

Isomeric SMILES

CC1=CC(=NC2=CC(=NN12)C(=O)[O-])C3=CC=C(C=C3)OCCC(C)C

InChI

InChI=1S/C19H21N3O3/c1-12(2)8-9-25-15-6-4-14(5-7-15)16-10-13(3)22-18(20-16)11-17(21-22)19(23)24/h4-7,10-12H,8-9H2,1-3H3,(H,23,24)/p-1