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

C22H17ClFN3 — CID 67106024

IUPAC4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
SMILESCC(c1cccc(Cl)c1)n1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H17ClFN3/c1-15(18-3-2-4-19(23)13-18)27-14-21(16-9-11-25-12-10-16)22(26-27)17-5-7-20(24)8-6-17/h2-15H,1H3
InChIKeyZAATVKMOPXCMTM-UHFFFAOYSA-N
MW377.85 g/mol
LogP6.01
Rot. Bonds4

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

4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine (PubChem CID 67106024) has the molecular formula C22H17ClFN3 and a molecular weight of 377.85 g/mol. Its IUPAC name is 4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
PubChem CID67106024
Molecular FormulaC22H17ClFN3
Molecular Weight377.85 g/mol
Exact Mass377.11
IUPAC Name4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
SMILESCC(c1cccc(Cl)c1)n1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H17ClFN3/c1-15(18-3-2-4-19(23)13-18)27-14-21(16-9-11-25-12-10-16)22(26-27)17-5-7-20(24)8-6-17/h2-15H,1H3
InChIKeyZAATVKMOPXCMTM-UHFFFAOYSA-N
XLogP6.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.85
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine (CID 67106024) is 4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine is CC(c1cccc(Cl)c1)n1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
The InChIKey is ZAATVKMOPXCMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3/c1-15(18-3-2-4-19(23)13-18)27-14-21(16-9-11-25-12-10-16)22(26-27)17-5-7-20(24)8-6-17/h2-15H,1H3.
What are the key properties of 4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine has a molecular weight of 377.85 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 67106024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).