1-(3-cyanopropyl)-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-cyanopropyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-cyanopropyl)-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-cyanopropyl)-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-cyanopropyl)-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-(3-cyanopropyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C10H13N3O2 MolecularWeight: 207.22912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC#N)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CCCC#N)C)C(=O)O

InChI

InChI=1S/C10H13N3O2/c1-7-9(10(14)15)8(2)13(12-7)6-4-3-5-11/h3-4,6H2,1-2H3,(H,14,15)