4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine

C22H23F3N4O — CID 92621431

IUPAC4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1ccc(OCCc2cc([C@H]3CCCN3Cc3ccncc3)n[nH]2)cc1
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)17-3-5-19(6-4-17)30-13-9-18-14-20(28-27-18)21-2-1-12-29(21)15-16-7-10-26-11-8-16/h3-8,10-11,14,21H,1-2,9,12-13,15H2,(H,27,28)/t21-/m1/s1
InChIKeyKZTJVNYPGJMZAH-OAQYLSRUSA-N
MW416.45 g/mol
LogP4.78
Rot. Bonds7

About 4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine

4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine (PubChem CID 92621431) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
PubChem CID92621431
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1ccc(OCCc2cc([C@H]3CCCN3Cc3ccncc3)n[nH]2)cc1
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)17-3-5-19(6-4-17)30-13-9-18-14-20(28-27-18)21-2-1-12-29(21)15-16-7-10-26-11-8-16/h3-8,10-11,14,21H,1-2,9,12-13,15H2,(H,27,28)/t21-/m1/s1
InChIKeyKZTJVNYPGJMZAH-OAQYLSRUSA-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

3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 110267631
6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline
CID 92618640
4-[[3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 110268467
2-[(2S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]pyrazine
CID 124971747
N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide
CID 95831468
4-[[(2S)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
CID 92621433
3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
CID 95831308
pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 110267649
pyridin-3-yl-[(2S)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 92621338
(2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
CID 125011961
5-propyl-3-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 46366481
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine (CID 92621431) is 4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine is FC(F)(F)c1ccc(OCCc2cc([C@H]3CCCN3Cc3ccncc3)n[nH]2)cc1.
What is the InChIKey of 4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is KZTJVNYPGJMZAH-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23F3N4O/c23-22(24,25)17-3-5-19(6-4-17)30-13-9-18-14-20(28-27-18)21-2-1-12-29(21)15-16-7-10-26-11-8-16/h3-8,10-11,14,21H,1-2,9,12-13,15H2,(H,27,28)/t21-/m1/s1.
What are the key properties of 4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine?
4-[[(2R)-2-[5-[2-[4-(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 4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 92621431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).