4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine

C16H14BrN3O — CID 175003872

IUPAC4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine
SMILESCCOc1ccc(-n2cc(Br)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C16H14BrN3O/c1-2-21-14-5-3-13(4-6-14)20-11-15(17)16(19-20)12-7-9-18-10-8-12/h3-11H,2H2,1H3
InChIKeyUWFCJSKMZYHKQM-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.10
Rot. Bonds4

About 4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine

4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine (PubChem CID 175003872) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine
PubChem CID175003872
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine
SMILESCCOc1ccc(-n2cc(Br)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C16H14BrN3O/c1-2-21-14-5-3-13(4-6-14)20-11-15(17)16(19-20)12-7-9-18-10-8-12/h3-11H,2H2,1H3
InChIKeyUWFCJSKMZYHKQM-UHFFFAOYSA-N
XLogP4.10
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine?
The IUPAC name of 4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine (CID 175003872) is 4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine is CCOc1ccc(-n2cc(Br)c(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine?
The InChIKey is UWFCJSKMZYHKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-2-21-14-5-3-13(4-6-14)20-11-15(17)16(19-20)12-7-9-18-10-8-12/h3-11H,2H2,1H3.
What are the key properties of 4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine?
4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine has a molecular weight of 344.21 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-1-(4-ethoxyphenyl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 175003872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).