5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine

C15H18BrN3O — CID 126627892

IUPAC5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine
SMILESCc1cc(-c2cc(C)c(Br)cn2)n(C2CCCCO2)n1
InChIInChI=1S/C15H18BrN3O/c1-10-7-13(17-9-12(10)16)14-8-11(2)18-19(14)15-5-3-4-6-20-15/h7-9,15H,3-6H2,1-2H3
InChIKeyFLJTYTKXOVPPGR-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.02
Rot. Bonds2

About 5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine

5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine (PubChem CID 126627892) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine
PubChem CID126627892
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine
SMILESCc1cc(-c2cc(C)c(Br)cn2)n(C2CCCCO2)n1
InChIInChI=1S/C15H18BrN3O/c1-10-7-13(17-9-12(10)16)14-8-11(2)18-19(14)15-5-3-4-6-20-15/h7-9,15H,3-6H2,1-2H3
InChIKeyFLJTYTKXOVPPGR-UHFFFAOYSA-N
XLogP4.02
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine?
The IUPAC name of 5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine (CID 126627892) is 5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine?
The canonical SMILES for 5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine is Cc1cc(-c2cc(C)c(Br)cn2)n(C2CCCCO2)n1.
What is the InChIKey of 5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine?
The InChIKey is FLJTYTKXOVPPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10-7-13(17-9-12(10)16)14-8-11(2)18-19(14)15-5-3-4-6-20-15/h7-9,15H,3-6H2,1-2H3.
What are the key properties of 5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine?
5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine has a molecular weight of 336.23 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 126627892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).