1-[(2S)-1-[(1-ethylpyrazol-4-yl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN(C)C(=O)C(C)N2C=CC(=N2)C(=O)O

Isomeric SMILES

CCN1C=C(C=N1)CN(C)C(=O)[C@H](C)N2C=CC(=N2)C(=O)O

InChI

InChI=1S/C14H19N5O3/c1-4-18-9-11(7-15-18)8-17(3)13(20)10(2)19-6-5-12(16-19)14(21)22/h5-7,9-10H,4,8H2,1-3H3,(H,21,22)/t10-/m0/s1