5-(1-adamantyl)-1H-pyrazole-3-carboxylic acid

Systemtic Name: 5-(1-adamantyl)-1H-pyrazole-3-carboxylic acid Openeye Name: 5-(1-adamantyl)-1H-pyrazole-3-carboxylic acid CAS Name: 5-(1-adamantyl)-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(1-adamantyl)-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(1-adamantyl)-1H-pyrazole-3-carboxylic acid Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)O

InChI

InChI=1S/C14H18N2O2/c17-13(18)11-4-12(16-15-11)14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2,(H,15,16)(H,17,18)