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

C15H16F3N3O3S — CID 133281914

IUPAC2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
SMILESO=S(=O)(c1ccccc1N1CCOC(Cn2cccn2)C1)C(F)(F)F
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)25(22,23)14-5-2-1-4-13(14)20-8-9-24-12(10-20)11-21-7-3-6-19-21/h1-7,12H,8-11H2
InChIKeyPYEAFHUPIZWKSJ-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.08
Rot. Bonds4

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

2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine (PubChem CID 133281914) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
PubChem CID133281914
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC Name2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
SMILESO=S(=O)(c1ccccc1N1CCOC(Cn2cccn2)C1)C(F)(F)F
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)25(22,23)14-5-2-1-4-13(14)20-8-9-24-12(10-20)11-21-7-3-6-19-21/h1-7,12H,8-11H2
InChIKeyPYEAFHUPIZWKSJ-UHFFFAOYSA-N
XLogP2.08
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
The IUPAC name of 2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine (CID 133281914) is 2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine is O=S(=O)(c1ccccc1N1CCOC(Cn2cccn2)C1)C(F)(F)F.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
The InChIKey is PYEAFHUPIZWKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c16-15(17,18)25(22,23)14-5-2-1-4-13(14)20-8-9-24-12(10-20)11-21-7-3-6-19-21/h1-7,12H,8-11H2.
What are the key properties of 2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine has a molecular weight of 375.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine is sourced from PubChem (CID 133281914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).