4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine

C10H14F3N3O — CID 174287924

IUPAC4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine
SMILESFC(F)(F)Cn1cc(OC2CCNCC2)cn1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)7-16-6-9(5-15-16)17-8-1-3-14-4-2-8/h5-6,8,14H,1-4,7H2
InChIKeyGMUYKPXJRMJZEM-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.58
Rot. Bonds3

About 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine

4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine (PubChem CID 174287924) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine.

Molecular Properties

Compound Name4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine
PubChem CID174287924
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine
SMILESFC(F)(F)Cn1cc(OC2CCNCC2)cn1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)7-16-6-9(5-15-16)17-8-1-3-14-4-2-8/h5-6,8,14H,1-4,7H2
InChIKeyGMUYKPXJRMJZEM-UHFFFAOYSA-N
XLogP1.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole
CID 104939864
4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride
CID 164576545
5-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine
CID 146287006
2-(4-cyclobutyloxypyrazol-1-yl)ethanamine
CID 117234339
N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 120709860
4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride
CID 66593025
N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120707592
1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole
CID 104939868
1-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]oxypyrazole
CID 104939867
4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine
CID 115055512
1-cyclopentyl-4-pyrrolidin-3-yloxypyrazole
CID 117233802
1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one
CID 117124912

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine?
The IUPAC name of 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine (CID 174287924) is 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine.
What is the SMILES notation for 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine?
The canonical SMILES for 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine is FC(F)(F)Cn1cc(OC2CCNCC2)cn1.
What is the InChIKey of 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine?
The InChIKey is GMUYKPXJRMJZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)7-16-6-9(5-15-16)17-8-1-3-14-4-2-8/h5-6,8,14H,1-4,7H2.
What are the key properties of 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine?
4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine has a molecular weight of 249.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine is sourced from PubChem (CID 174287924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).