4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine

C16H20FN3O3S — CID 110369285

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC(C)OC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H20FN3O3S/c1-10-8-20(24(21,22)16-11(2)18-19-12(16)3)9-15(23-10)13-4-6-14(17)7-5-13/h4-7,10,15H,8-9H2,1-3H3,(H,18,19)
InChIKeyMPYNAHRHGNMVRP-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.32
Rot. Bonds3

About 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine (PubChem CID 110369285) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine
PubChem CID110369285
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC(C)OC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H20FN3O3S/c1-10-8-20(24(21,22)16-11(2)18-19-12(16)3)9-15(23-10)13-4-6-14(17)7-5-13/h4-7,10,15H,8-9H2,1-3H3,(H,18,19)
InChIKeyMPYNAHRHGNMVRP-UHFFFAOYSA-N
XLogP2.32
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethylmorpholine
CID 16767831
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine
CID 110740590
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 110398726
2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine
CID 110369292
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-3-ol
CID 103914983
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 110335805
4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113079952
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369020
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
(6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one
CID 131922749
1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110328664

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine (CID 110369285) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine is Cc1n[nH]c(C)c1S(=O)(=O)N1CC(C)OC(c2ccc(F)cc2)C1.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine?
The InChIKey is MPYNAHRHGNMVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-10-8-20(24(21,22)16-11(2)18-19-12(16)3)9-15(23-10)13-4-6-14(17)7-5-13/h4-7,10,15H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine has a molecular weight of 353.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine is sourced from PubChem (CID 110369285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).