5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine

C14H9F3N4 — CID 3694575

IUPAC5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2[nH]ncc2-c2ccncc2)cn1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)12-2-1-10(7-19-12)13-11(8-20-21-13)9-3-5-18-6-4-9/h1-8H,(H,20,21)
InChIKeyATZDMDPXRJPEBM-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.55
Rot. Bonds2

About 5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine

5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine (PubChem CID 3694575) has the molecular formula C14H9F3N4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine
PubChem CID3694575
Molecular FormulaC14H9F3N4
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2[nH]ncc2-c2ccncc2)cn1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)12-2-1-10(7-19-12)13-11(8-20-21-13)9-3-5-18-6-4-9/h1-8H,(H,20,21)
InChIKeyATZDMDPXRJPEBM-UHFFFAOYSA-N
XLogP3.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine (CID 3694575) is 5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2[nH]ncc2-c2ccncc2)cn1.
What is the InChIKey of 5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is ATZDMDPXRJPEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4/c15-14(16,17)12-2-1-10(7-19-12)13-11(8-20-21-13)9-3-5-18-6-4-9/h1-8H,(H,20,21).
What are the key properties of 5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine?
5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 290.25 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 3694575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).