2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine

C17H15BrFN3 — CID 14402917

IUPAC2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine
SMILESCC(C)c1nn(-c2ccccn2)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C17H15BrFN3/c1-11(2)16-15(18)17(12-6-8-13(19)9-7-12)22(21-16)14-5-3-4-10-20-14/h3-11H,1-2H3
InChIKeyYNJIFOBWYGEUGA-UHFFFAOYSA-N
MW360.23 g/mol
LogP4.96
Rot. Bonds3

About 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine

2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine (PubChem CID 14402917) has the molecular formula C17H15BrFN3 and a molecular weight of 360.23 g/mol. Its IUPAC name is 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine
PubChem CID14402917
Molecular FormulaC17H15BrFN3
Molecular Weight360.23 g/mol
Exact Mass359.04
IUPAC Name2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine
SMILESCC(C)c1nn(-c2ccccn2)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C17H15BrFN3/c1-11(2)16-15(18)17(12-6-8-13(19)9-7-12)22(21-16)14-5-3-4-10-20-14/h3-11H,1-2H3
InChIKeyYNJIFOBWYGEUGA-UHFFFAOYSA-N
XLogP4.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine?
The IUPAC name of 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine (CID 14402917) is 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine?
The canonical SMILES for 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine is CC(C)c1nn(-c2ccccn2)c(-c2ccc(F)cc2)c1Br.
What is the InChIKey of 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine?
The InChIKey is YNJIFOBWYGEUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3/c1-11(2)16-15(18)17(12-6-8-13(19)9-7-12)22(21-16)14-5-3-4-10-20-14/h3-11H,1-2H3.
What are the key properties of 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine?
2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine has a molecular weight of 360.23 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]pyridine is sourced from PubChem (CID 14402917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).