5-(1-adamantyl)-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-(1-adamantyl)-1H-pyrazole-4-carboxylic acid Openeye Name: 5-(1-adamantyl)-1H-pyrazole-4-carboxylic acid CAS Name: 5-(1-adamantyl)-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-(1-adamantyl)-1H-pyrazole-4-carboxylic acid Traditional Name: 5-(1-adamantyl)-1H-pyrazole-4-carboxylic acid Formula: C14H18N2O2 MolecularWeight: 246.30492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2/c17-13(18)11-7-15-16-12(11)14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,15,16)(H,17,18)