5-[(3-fluorophenyl)methyl-methyl-amino]-1,3-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(3-fluorophenyl)methyl-methyl-amino]-1,3-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(3-fluorophenyl)methyl-methyl-amino]-1,3-dimethyl-pyrazole-4-carboxylic acid CAS Name: 5-[(3-fluorophenyl)methyl-methylamino]-1,3-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(3-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboxylic acid Traditional Name: 5-[(3-fluorobenzyl)-methyl-amino]-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C14H16FN3O2 MolecularWeight: 277.294143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)N(C)CC2=CC(=CC=C2)F)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)N(C)CC2=CC(=CC=C2)F)C

InChI

InChI=1S/C14H16FN3O2/c1-9-12(14(19)20)13(18(3)16-9)17(2)8-10-5-4-6-11(15)7-10/h4-7H,8H2,1-3H3,(H,19,20)