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

C21H13F4N3 — CID 56951008

IUPAC4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
SMILESFc1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C21H13F4N3/c22-17-5-1-14(2-6-17)19-13-28(27-20(19)15-9-11-26-12-10-15)18-7-3-16(4-8-18)21(23,24)25/h1-13H
InChIKeyDMIGACMAOGRELI-UHFFFAOYSA-N
MW383.35 g/mol
LogP5.76
Rot. Bonds3

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

4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine (PubChem CID 56951008) has the molecular formula C21H13F4N3 and a molecular weight of 383.35 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
PubChem CID56951008
Molecular FormulaC21H13F4N3
Molecular Weight383.35 g/mol
Exact Mass383.10
IUPAC Name4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
SMILESFc1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C21H13F4N3/c22-17-5-1-14(2-6-17)19-13-28(27-20(19)15-9-11-26-12-10-15)18-7-3-16(4-8-18)21(23,24)25/h1-13H
InChIKeyDMIGACMAOGRELI-UHFFFAOYSA-N
XLogP5.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.35
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrazol-4-yl]pyridine
CID 15837968
2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 67106772
3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine
CID 23080617
1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
CID 51353260
3-(4-fluorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543095
N-[4-[3-(4-chloro-3-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 56935458
N-[[2,6-difluoro-4-[1-[4-(2-hydroxyethyl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]phenyl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 51353450
4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine
CID 67107247
[2-[1-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzimidazol-1-yl]-pyridin-4-ylmethanone
CID 155520638
N-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 56935210
1,3,4-triphenylpyrazole
CID 555882
tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane
CID 58265208

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine (CID 56951008) is 4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine is Fc1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccncc2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The InChIKey is DMIGACMAOGRELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3/c22-17-5-1-14(2-6-17)19-13-28(27-20(19)15-9-11-26-12-10-15)18-7-3-16(4-8-18)21(23,24)25/h1-13H.
What are the key properties of 4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine has a molecular weight of 383.35 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 56951008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).