3-[(4-chloranyl-1-ethyl-pyrazol-3-yl)methyl-methyl-carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-chloranyl-1-ethyl-pyrazol-3-yl)methyl-methyl-carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-[(4-chloro-1-ethyl-pyrazol-3-yl)methyl-methyl-carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-[[(4-chloro-1-ethyl-3-pyrazolyl)methyl-methylamino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-chloro-1-ethylpyrazol-3-yl)methyl-methylcarbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-[(4-chloro-1-ethyl-pyrazol-3-yl)methyl-methyl-carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C13H16ClN5O3 MolecularWeight: 325.75084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)CN(C)C(=O)C2=NN(C=C2C(=O)O)C)Cl

Isomeric SMILES

CCN1C=C(C(=N1)CN(C)C(=O)C2=NN(C=C2C(=O)O)C)Cl

InChI

InChI=1S/C13H16ClN5O3/c1-4-19-6-9(14)10(15-19)7-17(2)12(20)11-8(13(21)22)5-18(3)16-11/h5-6H,4,7H2,1-3H3,(H,21,22)