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

C13H13F3N4 — CID 126946415

IUPAC2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1N1CCC(n2cccn2)C1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)11-3-1-5-17-12(11)19-8-4-10(9-19)20-7-2-6-18-20/h1-3,5-7,10H,4,8-9H2
InChIKeyYIGVMBDMEKLOAX-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.75
Rot. Bonds2

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

2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine (PubChem CID 126946415) 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)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
PubChem CID126946415
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1N1CCC(n2cccn2)C1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)11-3-1-5-17-12(11)19-8-4-10(9-19)20-7-2-6-18-20/h1-3,5-7,10H,4,8-9H2
InChIKeyYIGVMBDMEKLOAX-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine (CID 126946415) is 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1cccnc1N1CCC(n2cccn2)C1.
What is the InChIKey of 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine?
The InChIKey is YIGVMBDMEKLOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c14-13(15,16)11-3-1-5-17-12(11)19-8-4-10(9-19)20-7-2-6-18-20/h1-3,5-7,10H,4,8-9H2.
What are the key properties of 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine?
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(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)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 126946415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).