5-chloranyl-1-methyl-3-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-methyl-3-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-3-isopropyl-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-methyl-3-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-3-isopropyl-1-methyl-pyrazole-4-carboxylic acid Formula: C8H11ClN2O2 MolecularWeight: 202.63814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1C(=O)O)Cl)C

Isomeric SMILES

CC(C)C1=NN(C(=C1C(=O)O)Cl)C

InChI

InChI=1S/C8H11ClN2O2/c1-4(2)6-5(8(12)13)7(9)11(3)10-6/h4H,1-3H3,(H,12,13)