4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine

C15H17F2N3O3S — CID 133281917

IUPAC4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESO=S(=O)(c1ccc(N2CCOC(Cn3cccn3)C2)cc1)C(F)F
InChIInChI=1S/C15H17F2N3O3S/c16-15(17)24(21,22)14-4-2-12(3-5-14)19-8-9-23-13(10-19)11-20-7-1-6-18-20/h1-7,13,15H,8-11H2
InChIKeyYEYDHJVMGXOSBY-UHFFFAOYSA-N
MW357.38 g/mol
LogP1.78
Rot. Bonds5

About 4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine

4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 133281917) has the molecular formula C15H17F2N3O3S and a molecular weight of 357.38 g/mol. Its IUPAC name is 4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID133281917
Molecular FormulaC15H17F2N3O3S
Molecular Weight357.38 g/mol
Exact Mass357.10
IUPAC Name4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESO=S(=O)(c1ccc(N2CCOC(Cn3cccn3)C2)cc1)C(F)F
InChIInChI=1S/C15H17F2N3O3S/c16-15(17)24(21,22)14-4-2-12(3-5-14)19-8-9-23-13(10-19)11-20-7-1-6-18-20/h1-7,13,15H,8-11H2
InChIKeyYEYDHJVMGXOSBY-UHFFFAOYSA-N
XLogP1.78
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of 4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 133281917) is 4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for 4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine is O=S(=O)(c1ccc(N2CCOC(Cn3cccn3)C2)cc1)C(F)F.
What is the InChIKey of 4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is YEYDHJVMGXOSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3S/c16-15(17)24(21,22)14-4-2-12(3-5-14)19-8-9-23-13(10-19)11-20-7-1-6-18-20/h1-7,13,15H,8-11H2.
What are the key properties of 4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine?
4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 357.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethylsulfonyl)phenyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 133281917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).