3-[[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-[[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-[[[(1S)-1-(1-ethyl-3-pyrazolyl)ethyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-[[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(C)NC(=O)C2=NN(C=C2C(=O)O)C

Isomeric SMILES

CCN1C=CC(=N1)[C@H](C)NC(=O)C2=NN(C=C2C(=O)O)C

InChI

InChI=1S/C13H17N5O3/c1-4-18-6-5-10(15-18)8(2)14-12(19)11-9(13(20)21)7-17(3)16-11/h5-8H,4H2,1-3H3,(H,14,19)(H,20,21)/t8-/m0/s1