3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-pyrazole-5-carboxylic acid Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C3=NNC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C3=NNC(=C3)C(=O)O)C

InChI

InChI=1S/C16H15N3O2/c1-10-3-4-11(2)19(10)13-7-5-12(6-8-13)14-9-15(16(20)21)18-17-14/h3-9H,1-2H3,(H,17,18)(H,20,21)