2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine

C13H20F3N3 — CID 106779580

IUPAC2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine
SMILESCC(C)n1ccc(CC2CCCC(C(F)(F)F)N2)n1
InChIInChI=1S/C13H20F3N3/c1-9(2)19-7-6-11(18-19)8-10-4-3-5-12(17-10)13(14,15)16/h6-7,9-10,12,17H,3-5,8H2,1-2H3
InChIKeyXWQMOOIGJXERCE-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.08
Rot. Bonds3

About 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine

2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine (PubChem CID 106779580) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine
PubChem CID106779580
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine
SMILESCC(C)n1ccc(CC2CCCC(C(F)(F)F)N2)n1
InChIInChI=1S/C13H20F3N3/c1-9(2)19-7-6-11(18-19)8-10-4-3-5-12(17-10)13(14,15)16/h6-7,9-10,12,17H,3-5,8H2,1-2H3
InChIKeyXWQMOOIGJXERCE-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride
CID 119031618
3-[(3-chlorocyclohexyl)methyl]-1-propan-2-ylpyrazole
CID 64801732
2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 64772657
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
CID 64778907
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81028346
N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64801340
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116575965
3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole
CID 106640361
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026099
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027054
2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 106634943

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine?
The IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine (CID 106779580) is 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine is CC(C)n1ccc(CC2CCCC(C(F)(F)F)N2)n1.
What is the InChIKey of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine?
The InChIKey is XWQMOOIGJXERCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-9(2)19-7-6-11(18-19)8-10-4-3-5-12(17-10)13(14,15)16/h6-7,9-10,12,17H,3-5,8H2,1-2H3.
What are the key properties of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine?
2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine has a molecular weight of 275.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 106779580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).