2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine

C13H13F3N4 — CID 126946416

IUPAC2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCC(n3cccn3)C2)nc1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)10-2-3-12(17-8-10)19-7-4-11(9-19)20-6-1-5-18-20/h1-3,5-6,8,11H,4,7,9H2
InChIKeyFVFAOEBLMHBGBF-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.75
Rot. Bonds2

About 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine

2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 126946416) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID126946416
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCC(n3cccn3)C2)nc1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)10-2-3-12(17-8-10)19-7-4-11(9-19)20-6-1-5-18-20/h1-3,5-6,8,11H,4,7,9H2
InChIKeyFVFAOEBLMHBGBF-UHFFFAOYSA-N
XLogP2.75
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 126946418
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 126946415
2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine
CID 121183769
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
2-pyrazol-1-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142764
2-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133287338
1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one
CID 95590464
N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 77463574
1-(2-pyrazol-1-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 47521346
6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126946427

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine (CID 126946416) is 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(N2CCC(n3cccn3)C2)nc1.
What is the InChIKey of 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is FVFAOEBLMHBGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c14-13(15,16)10-2-3-12(17-8-10)19-7-4-11(9-19)20-6-1-5-18-20/h1-3,5-6,8,11H,4,7,9H2.
What are the key properties of 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine?
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 282.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 126946416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).