5-methyl-4-(pyridin-3-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-1H-pyrazol-3-one hydrochloride

Systemtic Name: 5-methyl-4-(pyridin-3-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-1H-pyrazol-3-one hydrochloride Openeye Name: 5-methyl-4-(3-pyridylmethyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)-1H-pyrazol-3-one hydrochloride CAS Name: 5-methyl-4-(3-pyridinylmethyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1H-pyrazol-3-one hydrochloride IUPAC Name: 5-methyl-4-(pyridin-3-ylmethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-1H-pyrazol-3-one hydrochloride Traditional Name: 5-methyl-4-(3-pyridylmethyl)-2-(5-pyrrolidinosulfonyl-2-pyridyl)-3-pyrazolin-3-one hydrochloride Formula: C19H22ClN5O3S MolecularWeight: 435.92768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC=C(C=C2)S(=O)(=O)N3CCCC3)CC4=CN=CC=C4.Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC=C(C=C2)S(=O)(=O)N3CCCC3)CC4=CN=CC=C4.Cl

InChI

InChI=1S/C19H21N5O3S.ClH/c1-14-17(11-15-5-4-8-20-12-15)19(25)24(22-14)18-7-6-16(13-21-18)28(26,27)23-9-2-3-10-23;/h4-8,12-13,22H,2-3,9-11H2,1H3;1H