3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine

C16H14BrN3 — CID 97179037

IUPAC3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine
SMILESCCc1ccc(-c2cc(-c3cncc(Br)c3)n[nH]2)cc1
InChIInChI=1S/C16H14BrN3/c1-2-11-3-5-12(6-4-11)15-8-16(20-19-15)13-7-14(17)10-18-9-13/h3-10H,2H2,1H3,(H,19,20)
InChIKeyGWKGXZGAKQIPNT-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.46
Rot. Bonds3

About 3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine

3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 97179037) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine
PubChem CID97179037
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine
SMILESCCc1ccc(-c2cc(-c3cncc(Br)c3)n[nH]2)cc1
InChIInChI=1S/C16H14BrN3/c1-2-11-3-5-12(6-4-11)15-8-16(20-19-15)13-7-14(17)10-18-9-13/h3-10H,2H2,1H3,(H,19,20)
InChIKeyGWKGXZGAKQIPNT-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine (CID 97179037) is 3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine is CCc1ccc(-c2cc(-c3cncc(Br)c3)n[nH]2)cc1.
What is the InChIKey of 3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is GWKGXZGAKQIPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-2-11-3-5-12(6-4-11)15-8-16(20-19-15)13-7-14(17)10-18-9-13/h3-10H,2H2,1H3,(H,19,20).
What are the key properties of 3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine?
3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 328.21 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 97179037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).