3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine

C22H23F3N4O — CID 110267631

IUPAC3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(OCCc2cc(C3CCCN3Cc3cccnc3)n[nH]2)c1
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)17-5-1-6-19(12-17)30-11-8-18-13-20(28-27-18)21-7-3-10-29(21)15-16-4-2-9-26-14-16/h1-2,4-6,9,12-14,21H,3,7-8,10-11,15H2,(H,27,28)
InChIKeyIPJPZCMDWKDVTB-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.78
Rot. Bonds7

About 3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine

3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine (PubChem CID 110267631) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
PubChem CID110267631
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(OCCc2cc(C3CCCN3Cc3cccnc3)n[nH]2)c1
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)17-5-1-6-19(12-17)30-11-8-18-13-20(28-27-18)21-7-3-10-29(21)15-16-4-2-9-26-14-16/h1-2,4-6,9,12-14,21H,3,7-8,10-11,15H2,(H,27,28)
InChIKeyIPJPZCMDWKDVTB-UHFFFAOYSA-N
XLogP4.78
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-yl-[(2S)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 92621338
pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 110267649
4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 92621431
4-[[3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 110268467
6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline
CID 92618640
3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
CID 95832176
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110256090
1-methyl-5-[[(3R)-3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole
CID 95831704
4-[[(2S)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
CID 92621433
(2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
CID 124956360
(2-methylpyrazol-3-yl)-[(3S)-3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 95831685

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine (CID 110267631) is 3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine is FC(F)(F)c1cccc(OCCc2cc(C3CCCN3Cc3cccnc3)n[nH]2)c1.
What is the InChIKey of 3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is IPJPZCMDWKDVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c23-22(24,25)17-5-1-6-19(12-17)30-11-8-18-13-20(28-27-18)21-7-3-10-29(21)15-16-4-2-9-26-14-16/h1-2,4-6,9,12-14,21H,3,7-8,10-11,15H2,(H,27,28).
What are the key properties of 3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine?
3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 416.45 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 110267631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).