4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine

C20H28N4O4S — CID 171431398

IUPAC4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine
SMILESCc1ccc(-c2cnn(CCN3CCOCC3)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H28N4O4S/c1-17-2-3-18(14-20(17)29(25,26)24-8-12-28-13-9-24)19-15-21-23(16-19)5-4-22-6-10-27-11-7-22/h2-3,14-16H,4-13H2,1H3
InChIKeyUNDGGLFCARADEZ-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.21
Rot. Bonds6

About 4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine

4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine (PubChem CID 171431398) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine
PubChem CID171431398
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine
SMILESCc1ccc(-c2cnn(CCN3CCOCC3)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H28N4O4S/c1-17-2-3-18(14-20(17)29(25,26)24-8-12-28-13-9-24)19-15-21-23(16-19)5-4-22-6-10-27-11-7-22/h2-3,14-16H,4-13H2,1H3
InChIKeyUNDGGLFCARADEZ-UHFFFAOYSA-N
XLogP1.21
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine
CID 163403584
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine
CID 53098016
4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
CID 163403555
2-methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one
CID 1080067
N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 167108895
N-[3-ethyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133346
4-[3-[[4-[1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyrazol-4-yl]pyrazol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 47012655
1-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 100780680
4-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]sulfonylmorpholine
CID 1252182
(4-methyl-3-morpholin-4-ylsulfonylphenyl)boronic acid
CID 91759049
N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine (CID 171431398) is 4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine is Cc1ccc(-c2cnn(CCN3CCOCC3)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine?
The InChIKey is UNDGGLFCARADEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-17-2-3-18(14-20(17)29(25,26)24-8-12-28-13-9-24)19-15-21-23(16-19)5-4-22-6-10-27-11-7-22/h2-3,14-16H,4-13H2,1H3.
What are the key properties of 4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine has a molecular weight of 420.54 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 171431398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).