1-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1R)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2R)-1-[(1,3-dimethyl-4-pyrazolyl)methyl-methylamino]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1R)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-keto-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C14H19N5O3 MolecularWeight: 305.33236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN(C)C(=O)C(C)N2C=C(C=N2)C(=O)O)C

Isomeric SMILES

CC1=NN(C=C1CN(C)C(=O)[C@@H](C)N2C=C(C=N2)C(=O)O)C

InChI

InChI=1S/C14H19N5O3/c1-9-12(7-18(4)16-9)6-17(3)13(20)10(2)19-8-11(5-15-19)14(21)22/h5,7-8,10H,6H2,1-4H3,(H,21,22)/t10-/m1/s1