4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine

C8H10F3N3O — CID 56965584

IUPAC4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine
SMILESFC(F)(F)c1cc(N2CCOCC2)n[nH]1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-5-7(13-12-6)14-1-3-15-4-2-14/h5H,1-4H2,(H,12,13)
InChIKeyJUXCAHPWLPMJIR-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.27
Rot. Bonds1

About 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine

4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine (PubChem CID 56965584) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine
PubChem CID56965584
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine
SMILESFC(F)(F)c1cc(N2CCOCC2)n[nH]1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-5-7(13-12-6)14-1-3-15-4-2-14/h5H,1-4H2,(H,12,13)
InChIKeyJUXCAHPWLPMJIR-UHFFFAOYSA-N
XLogP1.27
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine
CID 100735344
2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol
CID 11687054
N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 71062423
1-(2-methoxyethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine
CID 132133566
2-morpholin-4-yl-N-[N'-propyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide
CID 145680452
Ethyl-methyl-(5-trifluoromethyl-2H-pyrazol-3-yl)-amine
CID 56965580
Diethyl-(5-trifluoromethyl-2H-pyrazol-3-yl)-amine
CID 56965581
5-Pyrrolidin-1-yl-3-trifluoromethyl-1H-pyrazole
CID 56965582
1-(5-Trifluoromethyl-2H-pyrazol-3-yl)-piperidine
CID 56965583
4-(5-methyl-1H-pyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-carboxamide
CID 100644245
1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol
CID 154753950
1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride
CID 170912151

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine?
The IUPAC name of 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine (CID 56965584) is 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine is FC(F)(F)c1cc(N2CCOCC2)n[nH]1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine?
The InChIKey is JUXCAHPWLPMJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)6-5-7(13-12-6)14-1-3-15-4-2-14/h5H,1-4H2,(H,12,13).
What are the key properties of 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine?
4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine has a molecular weight of 221.18 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]morpholine is sourced from PubChem (CID 56965584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).