3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine

C11H18BrN3O — CID 117232375

IUPAC3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine
SMILESCOc1cnn(CC2CCCN(C)C2)c1Br
InChIInChI=1S/C11H18BrN3O/c1-14-5-3-4-9(7-14)8-15-11(12)10(16-2)6-13-15/h6,9H,3-5,7-8H2,1-2H3
InChIKeySKEBJYLWUPISMF-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.00
Rot. Bonds3

About 3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine

3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine (PubChem CID 117232375) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine.

Molecular Properties

Compound Name3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine
PubChem CID117232375
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine
SMILESCOc1cnn(CC2CCCN(C)C2)c1Br
InChIInChI=1S/C11H18BrN3O/c1-14-5-3-4-9(7-14)8-15-11(12)10(16-2)6-13-15/h6,9H,3-5,7-8H2,1-2H3
InChIKeySKEBJYLWUPISMF-UHFFFAOYSA-N
XLogP2.00
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine?
The IUPAC name of 3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine (CID 117232375) is 3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine.
What is the SMILES notation for 3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine?
The canonical SMILES for 3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine is COc1cnn(CC2CCCN(C)C2)c1Br.
What is the InChIKey of 3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine?
The InChIKey is SKEBJYLWUPISMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-14-5-3-4-9(7-14)8-15-11(12)10(16-2)6-13-15/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine?
3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine has a molecular weight of 288.19 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine is sourced from PubChem (CID 117232375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).