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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).