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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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).