4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine

C13H8F3N3S — CID 67262023

IUPAC4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2[nH]ncc2-c2ccncc2)s1
InChIInChI=1S/C13H8F3N3S/c14-13(15,16)11-2-1-10(20-11)12-9(7-18-19-12)8-3-5-17-6-4-8/h1-7H,(H,18,19)
InChIKeyYTZCEBPTKCULKN-UHFFFAOYSA-N
MW295.29 g/mol
LogP4.22
Rot. Bonds2

About 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine

4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine (PubChem CID 67262023) has the molecular formula C13H8F3N3S and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine
PubChem CID67262023
Molecular FormulaC13H8F3N3S
Molecular Weight295.29 g/mol
Exact Mass295.04
IUPAC Name4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2[nH]ncc2-c2ccncc2)s1
InChIInChI=1S/C13H8F3N3S/c14-13(15,16)11-2-1-10(20-11)12-9(7-18-19-12)8-3-5-17-6-4-8/h1-7H,(H,18,19)
InChIKeyYTZCEBPTKCULKN-UHFFFAOYSA-N
XLogP4.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine (CID 67262023) is 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine is FC(F)(F)c1ccc(-c2[nH]ncc2-c2ccncc2)s1.
What is the InChIKey of 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine?
The InChIKey is YTZCEBPTKCULKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3S/c14-13(15,16)11-2-1-10(20-11)12-9(7-18-19-12)8-3-5-17-6-4-8/h1-7H,(H,18,19).
What are the key properties of 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine?
4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine has a molecular weight of 295.29 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 67262023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).