2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N,N-di(propan-2-yl)ethanamide hydrate

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N,N-di(propan-2-yl)ethanamide hydrate Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N,N-diisopropyl-acetamide hydrate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N,N-di(propan-2-yl)acetamide hydrate IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N,N-di(propan-2-yl)acetamide hydrate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N,N-diisopropyl-acetamide hydrate Formula: C19H29N3O2 MolecularWeight: 331.45246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N(C(C)C)C(C)C.O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N(C(C)C)C(C)C.O

InChI

InChI=1S/C19H27N3O.H2O/c1-13(2)21(14(3)4)19(23)12-18-15(5)20-22(16(18)6)17-10-8-7-9-11-17;/h7-11,13-14H,12H2,1-6H3;1H2