1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

C16H22F3N5 — CID 128970546

IUPAC1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCCn1nccc1CCN1CCCC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C16H22F3N5/c1-2-24-13(5-7-21-24)6-9-23-8-3-4-12(11-23)15-20-10-14(22-15)16(17,18)19/h5,7,10,12H,2-4,6,8-9,11H2,1H3,(H,20,22)
InChIKeyZZXWTXPFUOWBMS-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.07
Rot. Bonds5

About 1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (PubChem CID 128970546) has the molecular formula C16H22F3N5 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
PubChem CID128970546
Molecular FormulaC16H22F3N5
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC Name1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCCn1nccc1CCN1CCCC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C16H22F3N5/c1-2-24-13(5-7-21-24)6-9-23-8-3-4-12(11-23)15-20-10-14(22-15)16(17,18)19/h5,7,10,12H,2-4,6,8-9,11H2,1H3,(H,20,22)
InChIKeyZZXWTXPFUOWBMS-UHFFFAOYSA-N
XLogP3.07
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (CID 128970546) is 1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is CCn1nccc1CCN1CCCC(c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of 1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is ZZXWTXPFUOWBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5/c1-2-24-13(5-7-21-24)6-9-23-8-3-4-12(11-23)15-20-10-14(22-15)16(17,18)19/h5,7,10,12H,2-4,6,8-9,11H2,1H3,(H,20,22).
What are the key properties of 1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 341.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 128970546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).