1,3-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pyrazole-4-carboxylic acid

Systemtic Name: 1,3-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pyrazole-4-carboxylic acid Openeye Name: 1,3-dimethyl-5-[methyl(2-thienylmethyl)amino]pyrazole-4-carboxylic acid CAS Name: 1,3-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]-4-pyrazolecarboxylic acid IUPAC Name: 1,3-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pyrazole-4-carboxylic acid Traditional Name: 1,3-dimethyl-5-[methyl(2-thenyl)amino]pyrazole-4-carboxylic acid Formula: C12H15N3O2S MolecularWeight: 265.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)N(C)CC2=CC=CS2)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)N(C)CC2=CC=CS2)C

InChI

InChI=1S/C12H15N3O2S/c1-8-10(12(16)17)11(15(3)13-8)14(2)7-9-5-4-6-18-9/h4-6H,7H2,1-3H3,(H,16,17)