4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine

C17H21F2N3O4S — CID 78881093

IUPAC4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
SMILESCc1nn(Cc2ccccc2OC(F)F)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H21F2N3O4S/c1-12-16(27(23,24)21-7-9-25-10-8-21)13(2)22(20-12)11-14-5-3-4-6-15(14)26-17(18)19/h3-6,17H,7-11H2,1-2H3
InChIKeyJFVJYGPFFHTMRY-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.17
Rot. Bonds6

About 4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine

4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine (PubChem CID 78881093) has the molecular formula C17H21F2N3O4S and a molecular weight of 401.44 g/mol. Its IUPAC name is 4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
PubChem CID78881093
Molecular FormulaC17H21F2N3O4S
Molecular Weight401.44 g/mol
Exact Mass401.12
IUPAC Name4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
SMILESCc1nn(Cc2ccccc2OC(F)F)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H21F2N3O4S/c1-12-16(27(23,24)21-7-9-25-10-8-21)13(2)22(20-12)11-14-5-3-4-6-15(14)26-17(18)19/h3-6,17H,7-11H2,1-2H3
InChIKeyJFVJYGPFFHTMRY-UHFFFAOYSA-N
XLogP2.17
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine 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-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 8668021
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-3-fluorobenzonitrile
CID 51295478
4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 78814869
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 53139563
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-ethylphenyl)propanamide
CID 46345140
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 8561748
(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
CID 27655873
4-[1-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 86917012
1-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-4-methylpiperidine
CID 9474602
N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
CID 8561430
4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 22579045
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)ethanone
CID 17411925

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The IUPAC name of 4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine (CID 78881093) is 4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The canonical SMILES for 4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine is Cc1nn(Cc2ccccc2OC(F)F)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The InChIKey is JFVJYGPFFHTMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O4S/c1-12-16(27(23,24)21-7-9-25-10-8-21)13(2)22(20-12)11-14-5-3-4-6-15(14)26-17(18)19/h3-6,17H,7-11H2,1-2H3.
What are the key properties of 4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine has a molecular weight of 401.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 78881093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).