4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine

C17H23N3O3S — CID 45182370

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C17H23N3O3S/c1-13-17(14(2)19-18-13)24(21,22)20-10-11-23-16(12-20)9-8-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,18,19)
InChIKeyURWSFXVMQMEPHG-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.05
Rot. Bonds5

About 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine (PubChem CID 45182370) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine
PubChem CID45182370
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C17H23N3O3S/c1-13-17(14(2)19-18-13)24(21,22)20-10-11-23-16(12-20)9-8-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,18,19)
InChIKeyURWSFXVMQMEPHG-UHFFFAOYSA-N
XLogP2.05
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-5-(5-neopentyl-1H-pyrazol-3-yl)phenylsulfonyl)morpholine
CID 44591241
4-(5-(5-(cyclohexylmethyl)-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591350
4-(5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591351
4-{[3,5-dimethyl-1-(4-methylbenzenesulfonyl)-1H-pyrazol-4-yl]sulfonyl}morpholine
CID 16300254
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-(methoxy(phenyl)methyl)piperidine
CID 72548145
4-((2,4-Difluorophenyl)fluoromethylene)-1-(3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 86580868
4-(1-(4-Chlorophenyl)-2-methoxyethyl)-1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 86704308
4-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-2-(2-phenylethyl)morpholine
CID 56877602
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
CID 29084314
US11352339, Example 10
CID 130454423
US11352339, Example 13
CID 130454490
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[fluoro-(2-fluoro-4-methylphenyl)methylidene]piperidine
CID 144761165

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine (CID 45182370) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCOC(CCc2ccccc2)C1.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine?
The InChIKey is URWSFXVMQMEPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13-17(14(2)19-18-13)24(21,22)20-10-11-23-16(12-20)9-8-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,18,19).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine has a molecular weight of 349.46 g/mol, XLogP of 2.05, 5 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-(2-phenylethyl)morpholine is sourced from PubChem (CID 45182370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).