5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C13H19N3O3 MolecularWeight: 265.30826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=C(C=NN2C)C(=O)O)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C2=C(C=NN2C)C(=O)O)C

InChI

InChI=1S/C13H19N3O3/c1-8-4-9(2)7-16(6-8)12(17)11-10(13(18)19)5-14-15(11)3/h5,8-9H,4,6-7H2,1-3H3,(H,18,19)/t8-,9-/m0/s1