2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one

C15H19N3O4S — CID 118538131

IUPAC2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
SMILESCc1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]n(C)c1=O
InChIInChI=1S/C15H19N3O4S/c1-11-14(16-17(2)15(11)19)12-3-5-13(6-4-12)23(20,21)18-7-9-22-10-8-18/h3-6,16H,7-10H2,1-2H3
InChIKeyYPGGBTPKJCVTBG-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.71
Rot. Bonds3

About 2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one

2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one (PubChem CID 118538131) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
PubChem CID118538131
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
SMILESCc1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]n(C)c1=O
InChIInChI=1S/C15H19N3O4S/c1-11-14(16-17(2)15(11)19)12-3-5-13(6-4-12)23(20,21)18-7-9-22-10-8-18/h3-6,16H,7-10H2,1-2H3
InChIKeyYPGGBTPKJCVTBG-UHFFFAOYSA-N
XLogP0.71
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-morpholin-4-yl-4-piperidin-1-ylsulfonylbenzamide
CID 2576565
4-((3,5-dimethylpiperidin-1-yl)sulfonyl)-N-morpholinobenzamide
CID 4063195
5-[4-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-2-methyl-3-oxo-1H-pyrazole-4-carbaldehyde
CID 118538383
5-[4-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-2-methyl-1H-pyrazol-3-one
CID 118538474
4-(Morpholinosulfonyl)benzohydrazide
CID 864339
6-(4-Methylphenyl)sulfonyl-2-(2-morpholin-4-ylethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67376155
4-(4-formyl-2-methyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 118537918
2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
CID 118537941
N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide
CID 118538401
4-(5-Hydroxy-4-methyl-1H-pyrazol-3-yl)-N,N-dimethylbenzene-1-sulfonamide
CID 118538456
4-(5-Hydroxy-1-methyl-1H-pyrazol-3-yl)-N,N-dimethylbenzene-1-sulfonamide
CID 118538504
4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 118538509

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one (CID 118538131) is 2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one is Cc1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one?
The InChIKey is YPGGBTPKJCVTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-11-14(16-17(2)15(11)19)12-3-5-13(6-4-12)23(20,21)18-7-9-22-10-8-18/h3-6,16H,7-10H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one?
2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one has a molecular weight of 337.40 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 118538131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).