1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one hydrate hydrochloride

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one hydrate hydrochloride Openeye Name: 4-(isopropylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one hydrate hydrochloride CAS Name: 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)-3-pyrazolone hydrate hydrochloride IUPAC Name: 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one hydrate hydrochloride Traditional Name: 4-(isopropylamino)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one hydrate hydrochloride Formula: C14H22ClN3O2 MolecularWeight: 299.79638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C)C.O.Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C)C.O.Cl

InChI

InChI=1S/C14H19N3O.ClH.H2O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12;;/h5-10,15H,1-4H3;1H;1H2