5-cyclopropyl-1-(phenylmethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-cyclopropyl-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-5-cyclopropyl-pyrazole-4-carboxylic acid CAS Name: 5-cyclopropyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-5-cyclopropylpyrazole-4-carboxylic acid Traditional Name: 1-benzyl-5-cyclopropyl-pyrazole-4-carboxylic acid Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC1C2=C(C=NN2CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C14H14N2O2/c17-14(18)12-8-15-16(13(12)11-6-7-11)9-10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,17,18)