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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).