3-methyl-5-(2-methylpropyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole

Systemtic Name: 3-methyl-5-(2-methylpropyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole Openeye Name: 5-isobutyl-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole CAS Name: 3-methyl-5-(2-methylpropyl)-1-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]pyrazole IUPAC Name: 3-methyl-5-(2-methylpropyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole Traditional Name: 5-isobutyl-3-methyl-1-[4-(3-pyrrolidinopropoxy)phenyl]pyrazole Formula: C21H31N3O MolecularWeight: 341.49034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CC(C)C)C2=CC=C(C=C2)OCCCN3CCCC3

Isomeric SMILES

CC1=NN(C(=C1)CC(C)C)C2=CC=C(C=C2)OCCCN3CCCC3

InChI

InChI=1S/C21H31N3O/c1-17(2)15-20-16-18(3)22-24(20)19-7-9-21(10-8-19)25-14-6-13-23-11-4-5-12-23/h7-10,16-17H,4-6,11-15H2,1-3H3