4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine

C18H25N3O3S — CID 44591351

IUPAC4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine
SMILESCc1ccc(-c2cc(C(C)(C)C)[nH]n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H25N3O3S/c1-13-5-6-14(15-12-17(20-19-15)18(2,3)4)11-16(13)25(22,23)21-7-9-24-10-8-21/h5-6,11-12H,7-10H2,1-4H3,(H,19,20)
InChIKeyXUNRETRJSBBZRI-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.70
Rot. Bonds3

About 4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine

4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine (PubChem CID 44591351) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine
PubChem CID44591351
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine
SMILESCc1ccc(-c2cc(C(C)(C)C)[nH]n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H25N3O3S/c1-13-5-6-14(15-12-17(20-19-15)18(2,3)4)11-16(13)25(22,23)21-7-9-24-10-8-21/h5-6,11-12H,7-10H2,1-4H3,(H,19,20)
InChIKeyXUNRETRJSBBZRI-UHFFFAOYSA-N
XLogP2.70
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.70
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
N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 20947404
US11352339, Example 10
CID 130454423
US11352339, Example 13
CID 130454490
1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine
CID 20947406
4-[(3-phenyl-1H-pyrazol-5-yl)sulfonyl]morpholine
CID 11098358
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-fluoro-2-methylphenyl)sulfonylmorpholine
CID 132356098
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-phenylethyl)morpholine
CID 45182370
N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 53299028
4-[4-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine
CID 155211402
4-[3-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)phenyl]sulfonylmorpholine
CID 155211407

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine (CID 44591351) is 4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine is Cc1ccc(-c2cc(C(C)(C)C)[nH]n2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine?
The InChIKey is XUNRETRJSBBZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-13-5-6-14(15-12-17(20-19-15)18(2,3)4)11-16(13)25(22,23)21-7-9-24-10-8-21/h5-6,11-12H,7-10H2,1-4H3,(H,19,20).
What are the key properties of 4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine?
4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine has a molecular weight of 363.48 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenyl]sulfonylmorpholine is sourced from PubChem (CID 44591351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).