4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine

C15H10F3N3 — CID 3575503

IUPAC4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
SMILESFC(F)(F)c1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)12-3-1-2-11(8-12)14-13(9-20-21-14)10-4-6-19-7-5-10/h1-9H,(H,20,21)
InChIKeyUZOPNNYVHHABCA-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.16
Rot. Bonds2

About 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine

4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine (PubChem CID 3575503) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
PubChem CID3575503
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
SMILESFC(F)(F)c1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)12-3-1-2-11(8-12)14-13(9-20-21-14)10-4-6-19-7-5-10/h1-9H,(H,20,21)
InChIKeyUZOPNNYVHHABCA-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine (CID 3575503) is 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine is FC(F)(F)c1cccc(-c2[nH]ncc2-c2ccncc2)c1.
What is the InChIKey of 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine?
The InChIKey is UZOPNNYVHHABCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-15(17,18)12-3-1-2-11(8-12)14-13(9-20-21-14)10-4-6-19-7-5-10/h1-9H,(H,20,21).
What are the key properties of 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine?
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine has a molecular weight of 289.26 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 3575503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).