4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine

C22H17ClFN3 — CID 67106626

IUPAC4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2nn(CCc3cccc(Cl)c3)cc2-c2ccncc2)cc1
InChIInChI=1S/C22H17ClFN3/c23-19-3-1-2-16(14-19)10-13-27-15-21(17-8-11-25-12-9-17)22(26-27)18-4-6-20(24)7-5-18/h1-9,11-12,14-15H,10,13H2
InChIKeyUIKMBMAYGFLGIC-UHFFFAOYSA-N
MW377.85 g/mol
LogP5.65
Rot. Bonds5

About 4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine

4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine (PubChem CID 67106626) has the molecular formula C22H17ClFN3 and a molecular weight of 377.85 g/mol. Its IUPAC name is 4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
PubChem CID67106626
Molecular FormulaC22H17ClFN3
Molecular Weight377.85 g/mol
Exact Mass377.11
IUPAC Name4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2nn(CCc3cccc(Cl)c3)cc2-c2ccncc2)cc1
InChIInChI=1S/C22H17ClFN3/c23-19-3-1-2-16(14-19)10-13-27-15-21(17-8-11-25-12-9-17)22(26-27)18-4-6-20(24)7-5-18/h1-9,11-12,14-15H,10,13H2
InChIKeyUIKMBMAYGFLGIC-UHFFFAOYSA-N
XLogP5.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.85
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine (CID 67106626) is 4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine is Fc1ccc(-c2nn(CCc3cccc(Cl)c3)cc2-c2ccncc2)cc1.
What is the InChIKey of 4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
The InChIKey is UIKMBMAYGFLGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3/c23-19-3-1-2-16(14-19)10-13-27-15-21(17-8-11-25-12-9-17)22(26-27)18-4-6-20(24)7-5-18/h1-9,11-12,14-15H,10,13H2.
What are the key properties of 4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine has a molecular weight of 377.85 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 67106626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).