4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine

C17H23N3O3S — CID 8668021

IUPAC4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
SMILESCc1cccc(Cn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c1
InChIInChI=1S/C17H23N3O3S/c1-13-5-4-6-16(11-13)12-20-15(3)17(14(2)18-20)24(21,22)19-7-9-23-10-8-19/h4-6,11H,7-10,12H2,1-3H3
InChIKeyZSHRFXSHQKHPML-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.88
Rot. Bonds4

About 4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine

4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine (PubChem CID 8668021) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
PubChem CID8668021
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
SMILESCc1cccc(Cn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c1
InChIInChI=1S/C17H23N3O3S/c1-13-5-4-6-16(11-13)12-20-15(3)17(14(2)18-20)24(21,22)19-7-9-23-10-8-19/h4-6,11H,7-10,12H2,1-3H3
InChIKeyZSHRFXSHQKHPML-UHFFFAOYSA-N
XLogP1.88
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 53139565
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide
CID 53139538
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 53139562
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 53139483
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)ethanone
CID 17411925
1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 17022690
4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 78814869
N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
CID 8561430
4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 78881093
6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one
CID 23611730
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 53139563
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-3-fluorobenzonitrile
CID 51295478

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine?
The IUPAC name of 4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine (CID 8668021) is 4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine?
The canonical SMILES for 4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine is Cc1cccc(Cn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c1.
What is the InChIKey of 4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine?
The InChIKey is ZSHRFXSHQKHPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13-5-4-6-16(11-13)12-20-15(3)17(14(2)18-20)24(21,22)19-7-9-23-10-8-19/h4-6,11H,7-10,12H2,1-3H3.
What are the key properties of 4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine?
4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine has a molecular weight of 349.46 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 8668021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).