2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine

C22H23F3N4 — CID 110254681

IUPAC2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESCn1cc(CN2CCCC2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1
InChIInChI=1S/C22H23F3N4/c1-28-14-17(13-26-28)15-29-11-3-6-21(29)20-5-2-4-19(27-20)12-16-7-9-18(10-8-16)22(23,24)25/h2,4-5,7-10,13-14,21H,3,6,11-12,15H2,1H3
InChIKeyDVAYMWBIQPAICT-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.76
Rot. Bonds5

About 2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine

2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine (PubChem CID 110254681) has the molecular formula C22H23F3N4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
PubChem CID110254681
Molecular FormulaC22H23F3N4
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESCn1cc(CN2CCCC2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1
InChIInChI=1S/C22H23F3N4/c1-28-14-17(13-26-28)15-29-11-3-6-21(29)20-5-2-4-19(27-20)12-16-7-9-18(10-8-16)22(23,24)25/h2,4-5,7-10,13-14,21H,3,6,11-12,15H2,1H3
InChIKeyDVAYMWBIQPAICT-UHFFFAOYSA-N
XLogP4.76
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818201
N,N-dimethyl-2-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818200
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 95817972
pyridin-4-yl-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110254529
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817914
N-[2-oxo-2-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethyl]acetamide
CID 95818338
2-pyridin-2-yl-1-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818185
2-pyridin-2-yl-1-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818184
2-[(2S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]pyrazine
CID 124971747
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818385

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine?
The IUPAC name of 2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine (CID 110254681) is 2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine?
The canonical SMILES for 2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine is Cn1cc(CN2CCCC2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1.
What is the InChIKey of 2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine?
The InChIKey is DVAYMWBIQPAICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4/c1-28-14-17(13-26-28)15-29-11-3-6-21(29)20-5-2-4-19(27-20)12-16-7-9-18(10-8-16)22(23,24)25/h2,4-5,7-10,13-14,21H,3,6,11-12,15H2,1H3.
What are the key properties of 2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine?
2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine has a molecular weight of 400.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 110254681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).