5-bromanyl-1-(2-chlorophenyl)-4-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-bromanyl-1-(2-chlorophenyl)-4-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid Openeye Name: 5-bromo-1-(2-chlorophenyl)-4-[(isopropylamino)methyl]pyrazole-3-carboxylic acid CAS Name: 5-bromo-1-(2-chlorophenyl)-4-[(propan-2-ylamino)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-bromo-1-(2-chlorophenyl)-4-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid Traditional Name: 5-bromo-1-(2-chlorophenyl)-4-[(isopropylamino)methyl]pyrazole-3-carboxylic acid Formula: C14H15BrClN3O2 MolecularWeight: 372.6448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=C(N(N=C1C(=O)O)C2=CC=CC=C2Cl)Br

Isomeric SMILES

CC(C)NCC1=C(N(N=C1C(=O)O)C2=CC=CC=C2Cl)Br

InChI

InChI=1S/C14H15BrClN3O2/c1-8(2)17-7-9-12(14(20)21)18-19(13(9)15)11-6-4-3-5-10(11)16/h3-6,8,17H,7H2,1-2H3,(H,20,21)