methyl 4-(1-adamantyl)-5-methyl-1H-pyrazole-3-carboxylate

Systemtic Name: methyl 4-(1-adamantyl)-5-methyl-1H-pyrazole-3-carboxylate Openeye Name: methyl 4-(1-adamantyl)-5-methyl-1H-pyrazole-3-carboxylate CAS Name: 4-(1-adamantyl)-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(1-adamantyl)-5-methyl-1H-pyrazole-3-carboxylate Traditional Name: 4-(1-adamantyl)-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester Formula: C16H22N2O2 MolecularWeight: 274.35808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C(=O)OC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C(=NN1)C(=O)OC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H22N2O2/c1-9-13(14(18-17-9)15(19)20-2)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,3-8H2,1-2H3,(H,17,18)