6-[(4-chlorophenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 6-[(4-chlorophenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 6-[(4-chlorophenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 6-[(4-chlorophenyl)methyl]-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 6-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 6-(4-chlorobenzyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C16H14ClN3O2 MolecularWeight: 315.75426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C(C=NN12)C(=O)O)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NC2=C(C=NN12)C(=O)O)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3O2/c1-9-13(7-11-3-5-12(17)6-4-11)10(2)20-15(19-9)14(8-18-20)16(21)22/h3-6,8H,7H2,1-2H3,(H,21,22)