4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine

C15H23N5O3S — CID 175091872

IUPAC4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCS(=O)(=O)CCn1cc(-c2ccn(CCN3CCOCC3)n2)cn1
InChIInChI=1S/C15H23N5O3S/c1-24(21,22)11-8-20-13-14(12-16-20)15-2-3-19(17-15)5-4-18-6-9-23-10-7-18/h2-3,12-13H,4-11H2,1H3
InChIKeyJFWBNVWGWTUXJL-UHFFFAOYSA-N
MW353.45 g/mol
LogP0.12
Rot. Bonds7

About 4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine

4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 175091872) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID175091872
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCS(=O)(=O)CCn1cc(-c2ccn(CCN3CCOCC3)n2)cn1
InChIInChI=1S/C15H23N5O3S/c1-24(21,22)11-8-20-13-14(12-16-20)15-2-3-19(17-15)5-4-18-6-9-23-10-7-18/h2-3,12-13H,4-11H2,1H3
InChIKeyJFWBNVWGWTUXJL-UHFFFAOYSA-N
XLogP0.12
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine (CID 175091872) is 4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine is CS(=O)(=O)CCn1cc(-c2ccn(CCN3CCOCC3)n2)cn1.
What is the InChIKey of 4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is JFWBNVWGWTUXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-24(21,22)11-8-20-13-14(12-16-20)15-2-3-19(17-15)5-4-18-6-9-23-10-7-18/h2-3,12-13H,4-11H2,1H3.
What are the key properties of 4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 353.45 g/mol, XLogP of 0.12, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 175091872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).