5-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1H-pyrazol-3-amine dihydrate

Systemtic Name: 5-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1H-pyrazol-3-amine dihydrate Openeye Name: 5-(4-chlorophenyl)-N,N-dimethyl-4-(4-pyridyl)-1H-pyrazol-3-amine dihydrate CAS Name: 5-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1H-pyrazol-3-amine dihydrate IUPAC Name: 5-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1H-pyrazol-3-amine dihydrate Traditional Name: [5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-dimethyl-amine dihydrate Formula: C16H19ClN4O2 MolecularWeight: 334.80066

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)Cl.O.O

Isomeric SMILES

CN(C)C1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)Cl.O.O

InChI

InChI=1S/C16H15ClN4.2H2O/c1-21(2)16-14(11-7-9-18-10-8-11)15(19-20-16)12-3-5-13(17)6-4-12;;/h3-10H,1-2H3,(H,19,20);2*1H2