3-[5-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[(4-bromo-2-ethyl-pyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[(4-bromo-2-ethyl-3-pyrazolyl)methylamino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[(4-bromo-2-ethylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[(4-bromo-2-ethyl-pyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propionic acid Formula: C13H16BrN5O3 MolecularWeight: 370.20184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)CNC(=O)C2=CC=NN2CCC(=O)O

Isomeric SMILES

CCN1C(=C(C=N1)Br)CNC(=O)C2=CC=NN2CCC(=O)O

InChI

InChI=1S/C13H16BrN5O3/c1-2-18-11(9(14)7-17-18)8-15-13(22)10-3-5-16-19(10)6-4-12(20)21/h3,5,7H,2,4,6,8H2,1H3,(H,15,22)(H,20,21)