2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine

C13H20F3N3 — CID 106779970

IUPAC2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine
SMILESCCc1cc(CC2NCCCC2C(F)(F)F)n(C)n1
InChIInChI=1S/C13H20F3N3/c1-3-9-7-10(19(2)18-9)8-12-11(13(14,15)16)5-4-6-17-12/h7,11-12,17H,3-6,8H2,1-2H3
InChIKeyNZCWWFXENZHGHP-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.46
Rot. Bonds3

About 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine

2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine (PubChem CID 106779970) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine
PubChem CID106779970
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine
SMILESCCc1cc(CC2NCCCC2C(F)(F)F)n(C)n1
InChIInChI=1S/C13H20F3N3/c1-3-9-7-10(19(2)18-9)8-12-11(13(14,15)16)5-4-6-17-12/h7,11-12,17H,3-6,8H2,1-2H3
InChIKeyNZCWWFXENZHGHP-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine
CID 166825155
[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81009696
3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565387
2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine
CID 112745787
2-(3-ethyl-1-methylpyrazol-5-yl)azepane
CID 81146779
3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
CID 102819892
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106779982
3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole
CID 82694533
2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone
CID 116548028
2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol
CID 106506639
3-ethyl-N-[(3-ethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 82735356
4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N,N-dimethylpiperidine-2-carboxamide
CID 106779974

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine (CID 106779970) is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine is CCc1cc(CC2NCCCC2C(F)(F)F)n(C)n1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine?
The InChIKey is NZCWWFXENZHGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-3-9-7-10(19(2)18-9)8-12-11(13(14,15)16)5-4-6-17-12/h7,11-12,17H,3-6,8H2,1-2H3.
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine?
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine has a molecular weight of 275.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 106779970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).