3-[5-(4-fluorophenyl)-1-methyl-pyrazol-3-yl]-N-methyl-propan-1-amine hydrate

Systemtic Name: 3-[5-(4-fluorophenyl)-1-methyl-pyrazol-3-yl]-N-methyl-propan-1-amine hydrate Openeye Name: 3-[5-(4-fluorophenyl)-1-methyl-pyrazol-3-yl]-N-methyl-propan-1-amine hydrate CAS Name: 3-[5-(4-fluorophenyl)-1-methyl-3-pyrazolyl]-N-methyl-1-propanamine hydrate IUPAC Name: 3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine hydrate Traditional Name: 3-[5-(4-fluorophenyl)-1-methyl-pyrazol-3-yl]propyl-methyl-amine hydrate Formula: C14H20FN3O MolecularWeight: 265.326503

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCC1=NN(C(=C1)C2=CC=C(C=C2)F)C.O

Isomeric SMILES

CNCCCC1=NN(C(=C1)C2=CC=C(C=C2)F)C.O

InChI

InChI=1S/C14H18FN3.H2O/c1-16-9-3-4-13-10-14(18(2)17-13)11-5-7-12(15)8-6-11;/h5-8,10,16H,3-4,9H2,1-2H3;1H2