5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline

C15H14BrN3O — CID 103045463

IUPAC5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline
SMILESCc1nn(C)c(COc2cccc3ncccc23)c1Br
InChIInChI=1S/C15H14BrN3O/c1-10-15(16)13(19(2)18-10)9-20-14-7-3-6-12-11(14)5-4-8-17-12/h3-8H,9H2,1-2H3
InChIKeyHFRXCEMRIIGUOC-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.62
Rot. Bonds3

About 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline

5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline (PubChem CID 103045463) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline.

Molecular Properties

Compound Name5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline
PubChem CID103045463
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline
SMILESCc1nn(C)c(COc2cccc3ncccc23)c1Br
InChIInChI=1S/C15H14BrN3O/c1-10-15(16)13(19(2)18-10)9-20-14-7-3-6-12-11(14)5-4-8-17-12/h3-8H,9H2,1-2H3
InChIKeyHFRXCEMRIIGUOC-UHFFFAOYSA-N
XLogP3.62
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
CID 83140822
5-[(2-bromo-3-fluorophenyl)methoxy]quinoline
CID 103045464
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77103654
4-bromo-3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]aniline
CID 103008965
4-bromo-5-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-dimethylpyrazole
CID 107098457
4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
CID 107667685
(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025715
(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025773
5-(3-bromo-2-methylpropoxy)quinoline
CID 103044584
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
5-(9-bromononoxy)quinoline
CID 103044601
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline?
The IUPAC name of 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline (CID 103045463) is 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline.
What is the SMILES notation for 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline?
The canonical SMILES for 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline is Cc1nn(C)c(COc2cccc3ncccc23)c1Br.
What is the InChIKey of 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline?
The InChIKey is HFRXCEMRIIGUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-10-15(16)13(19(2)18-10)9-20-14-7-3-6-12-11(14)5-4-8-17-12/h3-8H,9H2,1-2H3.
What are the key properties of 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline?
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline has a molecular weight of 332.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline is sourced from PubChem (CID 103045463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).