2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone

C15H22F3N3O3 — CID 167896999

IUPAC2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESCCc1n[nH]c(CC)c1CC(=O)N1CC(CO)OC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3N3O3/c1-3-11-10(12(4-2)20-19-11)5-14(23)21-6-9(8-22)24-13(7-21)15(16,17)18/h9,13,22H,3-8H2,1-2H3,(H,19,20)
InChIKeyCUSHCZFXNMIWEJ-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.23
Rot. Bonds5

About 2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone

2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone (PubChem CID 167896999) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone
PubChem CID167896999
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Name2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESCCc1n[nH]c(CC)c1CC(=O)N1CC(CO)OC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3N3O3/c1-3-11-10(12(4-2)20-19-11)5-14(23)21-6-9(8-22)24-13(7-21)15(16,17)18/h9,13,22H,3-8H2,1-2H3,(H,19,20)
InChIKeyCUSHCZFXNMIWEJ-UHFFFAOYSA-N
XLogP1.23
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone (CID 167896999) is 2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone is CCc1n[nH]c(CC)c1CC(=O)N1CC(CO)OC(C(F)(F)F)C1.
What is the InChIKey of 2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone?
The InChIKey is CUSHCZFXNMIWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-3-11-10(12(4-2)20-19-11)5-14(23)21-6-9(8-22)24-13(7-21)15(16,17)18/h9,13,22H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone?
2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone has a molecular weight of 349.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1H-pyrazol-4-yl)-1-[2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 167896999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).