2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylamino]-2-methyl-pentanoic acid CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methylamino]-2-methylpentanoic acid IUPAC Name: 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentanoic acid Traditional Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylamino]-2-methyl-valeric acid Formula: C12H20ClN3O2 MolecularWeight: 273.7591

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCC1=C(N(N=C1C)C)Cl

Isomeric SMILES

CCCC(C)(C(=O)O)NCC1=C(N(N=C1C)C)Cl

InChI

InChI=1S/C12H20ClN3O2/c1-5-6-12(3,11(17)18)14-7-9-8(2)15-16(4)10(9)13/h14H,5-7H2,1-4H3,(H,17,18)