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

C30H38N6O8S2 — CID 118542181

IUPAC2,4-dimethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
SMILESCc1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]n(C)c1=O.Cc1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]n(C)c1=O
InChIInChI=1S/2C15H19N3O4S/c2*1-11-14(16-17(2)15(11)19)12-3-5-13(6-4-12)23(20,21)18-7-9-22-10-8-18/h2*3-6,16H,7-10H2,1-2H3
InChIKeyNAJZELSGWGUWSC-UHFFFAOYSA-N
MW674.80 g/mol
LogP1.42
Rot. Bonds6

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 118542181) has the molecular formula C30H38N6O8S2 and a molecular weight of 674.80 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 CID118542181
Molecular FormulaC30H38N6O8S2
Molecular Weight674.80 g/mol
Exact Mass674.22
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.Cc1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]n(C)c1=O
InChIInChI=1S/2C15H19N3O4S/c2*1-11-14(16-17(2)15(11)19)12-3-5-13(6-4-12)23(20,21)18-7-9-22-10-8-18/h2*3-6,16H,7-10H2,1-2H3
InChIKeyNAJZELSGWGUWSC-UHFFFAOYSA-N
XLogP1.42
TPSA168.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500674.80
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-((2,6-dimethylmorpholino)sulfonyl)-N'-(4-(piperidin-1-ylsulfonyl)benzoyl)benzohydrazide
CID 4255883
2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
CID 118537941
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-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 118538509
2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-3-oxo-1H-pyrazole-4-carbaldehyde
CID 118538603
2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrazol-3-one
CID 118542346
ethyl 2-[5-[4-(dimethylsulfamoyl)phenyl]-4-methyl-3-oxo-1H-pyrazol-2-yl]acetate
CID 129057116
1-(4-methylphenyl)sulfonyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
CID 3192924
N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide
CID 92905060
N'-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide
CID 92905061
N'-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide
CID 92905062

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 118542181) 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.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 NAJZELSGWGUWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H19N3O4S/c2*1-11-14(16-17(2)15(11)19)12-3-5-13(6-4-12)23(20,21)18-7-9-22-10-8-18/h2*3-6,16H,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 674.80 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 10 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 118542181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).