6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C19H19N3O3S — CID 67375808

IUPAC6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCc3c([nH]n(-c4ccccc4)c3=O)C2)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-7-9-16(10-8-14)26(24,25)21-12-11-17-18(13-21)20-22(19(17)23)15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3
InChIKeyNEKSYDJKZBOYOU-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.22
Rot. Bonds3

About 6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 67375808) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID67375808
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCc3c([nH]n(-c4ccccc4)c3=O)C2)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-7-9-16(10-8-14)26(24,25)21-12-11-17-18(13-21)20-22(19(17)23)15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3
InChIKeyNEKSYDJKZBOYOU-UHFFFAOYSA-N
XLogP2.22
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(4-isopropyl-2,3-dimethyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide
CID 1504737
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[(dipropylamino)sulfonyl]benzamide
CID 2311705
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2493193
N-[2-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methyl]phenyl]-4-methylbenzenesulfonamide
CID 653303
1-(1,5-Dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4-methylphenyl)sulfonylurea
CID 1241123
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-methylbenzenesulfonamide
CID 1099011
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,4-dimethylbenzenesulfonamide
CID 2862432
Cambridge id 7144030
CID 1190415
N-phenyl-2,3-dihydropyrrolo[1,2-b][1,2]benzisothiazole-1-carboxamide 5,5-dioxide
CID 1235461
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 2133626
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-(4-methylbenzenesulfonamido)hexanamide
CID 2484157
sodium (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)[(4-methylphenyl)sulfonyl]azanide
CID 16456034

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 67375808) is 6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is Cc1ccc(S(=O)(=O)N2CCc3c([nH]n(-c4ccccc4)c3=O)C2)cc1.
What is the InChIKey of 6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is NEKSYDJKZBOYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-14-7-9-16(10-8-14)26(24,25)21-12-11-17-18(13-21)20-22(19(17)23)15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3.
What are the key properties of 6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 369.45 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)sulfonyl-2-phenyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67375808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).