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

C16H19F2N3O3S — CID 9473679

IUPAC4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
SMILESCc1nn(Cc2cccc(F)c2F)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H19F2N3O3S/c1-11-16(25(22,23)20-6-8-24-9-7-20)12(2)21(19-11)10-13-4-3-5-14(17)15(13)18/h3-5H,6-10H2,1-2H3
InChIKeyFGUWATCKHQMYJY-UHFFFAOYSA-N
MW371.41 g/mol
LogP1.85
Rot. Bonds4

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

4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine (PubChem CID 9473679) has the molecular formula C16H19F2N3O3S and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
PubChem CID9473679
Molecular FormulaC16H19F2N3O3S
Molecular Weight371.41 g/mol
Exact Mass371.11
IUPAC Name4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
SMILESCc1nn(Cc2cccc(F)c2F)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H19F2N3O3S/c1-11-16(25(22,23)20-6-8-24-9-7-20)12(2)21(19-11)10-13-4-3-5-14(17)15(13)18/h3-5H,6-10H2,1-2H3
InChIKeyFGUWATCKHQMYJY-UHFFFAOYSA-N
XLogP1.85
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 757080
4-{[1-(3-fluorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine
CID 16029645
4-(4-Chloro-2-fluorobenzyl)-4-fluoro-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72551106
4-(4-Chloro-2-fluorobenzylidene)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 86580704
4-[(1-benzoyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine
CID 16029609
4-{[1-(2-fluorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine
CID 16029641
4-{[3,5-dimethyl-1-(4-methylbenzenesulfonyl)-1H-pyrazol-4-yl]sulfonyl}morpholine
CID 16300254
2-(2,6-Difluorophenyl)-2-(1-((1,3,5-trimethyl-1H-pyrazol-4-yl) sulfonyl)piperidin-4-ylidene)acetonitrile
CID 86580545
4-{[1-(2,6-difluorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine
CID 16029672
1-Ethyl-3-methyl-N-[2-(morpholin-4-YL)-2-phenylethyl]pyrazole-4-sulfonamide
CID 19614785
N-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 44117144
4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-1-((3-(trifluoromethyl)phenyl)sulfonyl)piperidine
CID 71781257

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The IUPAC name of 4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine (CID 9473679) is 4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The canonical SMILES for 4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine is Cc1nn(Cc2cccc(F)c2F)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The InChIKey is FGUWATCKHQMYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3S/c1-11-16(25(22,23)20-6-8-24-9-7-20)12(2)21(19-11)10-13-4-3-5-14(17)15(13)18/h3-5H,6-10H2,1-2H3.
What are the key properties of 4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine has a molecular weight of 371.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 9473679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).