2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone

C14H13F3N4O2 — CID 122251963

IUPAC2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)11-3-1-4-12(19-11)23-10-7-20(8-10)13(22)9-21-6-2-5-18-21/h1-6,10H,7-9H2
InChIKeyUERSGGVYPUXNMM-UHFFFAOYSA-N
MW326.28 g/mol
LogP1.59
Rot. Bonds4

About 2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone

2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone (PubChem CID 122251963) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
PubChem CID122251963
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)11-3-1-4-12(19-11)23-10-7-20(8-10)13(22)9-21-6-2-5-18-21/h1-6,10H,7-9H2
InChIKeyUERSGGVYPUXNMM-UHFFFAOYSA-N
XLogP1.59
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-pyrazol-1-yl)-1-(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)ethanone
CID 71798771
2-(2-fluorophenoxy)-N-(2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethyl)acetamide
CID 71807923
N-(1-ethylpyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 72005776
2-(1H-pyrazol-1-yl)-N-((1r,4r)-4-(pyridin-2-yloxy)cyclohexyl)acetamide
CID 91625981
1-[(S)-3-(6-methyl-3-pyridazinyloxy)-1-piperidyl]-2-(1-pyrrolyl)-1-ethanone
CID 100642713
N-(2-methoxy-3-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 45828112
1-(6-Methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 75483665
N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine
CID 75503263
2-(1H-pyrazol-1-yl)-1-(3-((4-(trifluoromethyl)pyridin-2-yl)oxy)pyrrolidin-1-yl)ethanone
CID 91625451
1-{4,4-Difluoro-2-[(pyridin-3-yloxy)methyl]pyrrolidin-1-YL}-2-(3-methyl-1H-pyrazol-1-YL)ethan-1-one
CID 124040310
1-{4,4-Difluoro-2-[(pyridin-3-yloxy)methyl]pyrrolidin-1-YL}-2-(1H-pyrazol-1-YL)ethan-1-one
CID 124040314
N-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 72005745

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone (CID 122251963) is 2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone is O=C(Cn1cccn1)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The InChIKey is UERSGGVYPUXNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)11-3-1-4-12(19-11)23-10-7-20(8-10)13(22)9-21-6-2-5-18-21/h1-6,10H,7-9H2.
What are the key properties of 2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone has a molecular weight of 326.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 122251963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).