5-methyl-1-(phenylmethyl)-3-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-methyl-1-(phenylmethyl)-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-5-methyl-3-propyl-pyrazole-4-carboxylic acid CAS Name: 5-methyl-1-(phenylmethyl)-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-5-methyl-3-propylpyrazole-4-carboxylic acid Traditional Name: 1-benzyl-5-methyl-3-propyl-pyrazole-4-carboxylic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)O)C)CC2=CC=CC=C2

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)O)C)CC2=CC=CC=C2

InChI

InChI=1S/C15H18N2O2/c1-3-7-13-14(15(18)19)11(2)17(16-13)10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19)