4-[3-(4-chlorophenyl)-5-(2-piperazin-1-ylethyl)-1H-pyrazol-4-yl]pyrimidine

Systemtic Name: 4-[3-(4-chlorophenyl)-5-(2-piperazin-1-ylethyl)-1H-pyrazol-4-yl]pyrimidine Openeye Name: 4-[3-(4-chlorophenyl)-5-(2-piperazin-1-ylethyl)-1H-pyrazol-4-yl]pyrimidine CAS Name: 4-[3-(4-chlorophenyl)-5-[2-(1-piperazinyl)ethyl]-1H-pyrazol-4-yl]pyrimidine IUPAC Name: 4-[3-(4-chlorophenyl)-5-(2-piperazin-1-ylethyl)-1H-pyrazol-4-yl]pyrimidine Traditional Name: 4-[3-(4-chlorophenyl)-5-(2-piperazinoethyl)-1H-pyrazol-4-yl]pyrimidine Formula: C19H21ClN6 MolecularWeight: 368.86324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCC2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4

Isomeric SMILES

C1CN(CCN1)CCC2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4

InChI

InChI=1S/C19H21ClN6/c20-15-3-1-14(2-4-15)19-18(16-5-7-22-13-23-16)17(24-25-19)6-10-26-11-8-21-9-12-26/h1-5,7,13,21H,6,8-12H2,(H,24,25)