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

C14H17N3O4S — CID 118537941

IUPAC2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1=O
InChIInChI=1S/C14H17N3O4S/c1-16-14(18)10-13(15-16)11-2-4-12(5-3-11)22(19,20)17-6-8-21-9-7-17/h2-5,10,15H,6-9H2,1H3
InChIKeyVCYZJIQKYHESEQ-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.40
Rot. Bonds3

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

2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one (PubChem CID 118537941) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
PubChem CID118537941
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1=O
InChIInChI=1S/C14H17N3O4S/c1-16-14(18)10-13(15-16)11-2-4-12(5-3-11)22(19,20)17-6-8-21-9-7-17/h2-5,10,15H,6-9H2,1H3
InChIKeyVCYZJIQKYHESEQ-UHFFFAOYSA-N
XLogP0.40
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
CID 118538131
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
4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide
CID 118538532
2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-pyrazole-4-carbaldehyde
CID 118538603

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one (CID 118537941) is 2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one is Cn1[nH]c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1=O.
What is the InChIKey of 2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one?
The InChIKey is VCYZJIQKYHESEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-16-14(18)10-13(15-16)11-2-4-12(5-3-11)22(19,20)17-6-8-21-9-7-17/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one?
2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one has a molecular weight of 323.37 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 118537941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).