2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine

C15H20F3N5 — CID 56780359

IUPAC2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
SMILESFC(F)(F)Cn1ccnc1CN1CCCCC1Cn1cccn1
InChIInChI=1S/C15H20F3N5/c16-15(17,18)12-22-9-6-19-14(22)11-21-7-2-1-4-13(21)10-23-8-3-5-20-23/h3,5-6,8-9,13H,1-2,4,7,10-12H2
InChIKeyBGXIIIQYPCHWBH-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.70
Rot. Bonds5

About 2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine

2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine (PubChem CID 56780359) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
PubChem CID56780359
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
SMILESFC(F)(F)Cn1ccnc1CN1CCCCC1Cn1cccn1
InChIInChI=1S/C15H20F3N5/c16-15(17,18)12-22-9-6-19-14(22)11-21-7-2-1-4-13(21)10-23-8-3-5-20-23/h3,5-6,8-9,13H,1-2,4,7,10-12H2
InChIKeyBGXIIIQYPCHWBH-UHFFFAOYSA-N
XLogP2.70
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
The IUPAC name of 2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine (CID 56780359) is 2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine is FC(F)(F)Cn1ccnc1CN1CCCCC1Cn1cccn1.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
The InChIKey is BGXIIIQYPCHWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c16-15(17,18)12-22-9-6-19-14(22)11-21-7-2-1-4-13(21)10-23-8-3-5-20-23/h3,5-6,8-9,13H,1-2,4,7,10-12H2.
What are the key properties of 2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine has a molecular weight of 327.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 56780359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).