3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine

C14H8F3N3 — CID 141253718

IUPAC3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine
SMILESFc1cc(-c2cc(-c3cccnc3)[nH]n2)cc(F)c1F
InChIInChI=1S/C14H8F3N3/c15-10-4-9(5-11(16)14(10)17)13-6-12(19-20-13)8-2-1-3-18-7-8/h1-7H,(H,19,20)
InChIKeyVWXYAJHYKJMGIG-UHFFFAOYSA-N
MW275.23 g/mol
LogP3.56
Rot. Bonds2

About 3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine

3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine (PubChem CID 141253718) has the molecular formula C14H8F3N3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine
PubChem CID141253718
Molecular FormulaC14H8F3N3
Molecular Weight275.23 g/mol
Exact Mass275.07
IUPAC Name3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine
SMILESFc1cc(-c2cc(-c3cccnc3)[nH]n2)cc(F)c1F
InChIInChI=1S/C14H8F3N3/c15-10-4-9(5-11(16)14(10)17)13-6-12(19-20-13)8-2-1-3-18-7-8/h1-7H,(H,19,20)
InChIKeyVWXYAJHYKJMGIG-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
CID 144664737
5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride
CID 47002499
1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone
CID 141253759
2-methyl-5-(3-pyridin-3-yl-1H-pyrazol-5-yl)pyrazine
CID 141253813
5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine
CID 118529655
3-(4-bromo-3,5-difluorophenyl)pyridine
CID 164533968
2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]pyridine
CID 137145048
5-[5-(2,3,6-trifluorophenyl)-1H-pyrazol-3-yl]pyrimidine
CID 141253732
3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine
CID 141365269
N-(5-pyridin-3-yl-1H-pyrazol-3-yl)acetamide
CID 137321038
4-pyridin-3-yl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-1H-indole
CID 137112879
2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine
CID 137042112

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine (CID 141253718) is 3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine is Fc1cc(-c2cc(-c3cccnc3)[nH]n2)cc(F)c1F.
What is the InChIKey of 3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine?
The InChIKey is VWXYAJHYKJMGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3/c15-10-4-9(5-11(16)14(10)17)13-6-12(19-20-13)8-2-1-3-18-7-8/h1-7H,(H,19,20).
What are the key properties of 3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine?
3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine has a molecular weight of 275.23 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 141253718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).