1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole

C13H14BrClN2O — CID 62129029

IUPAC1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole
SMILESCc1nn(CCOc2ccc(Br)cc2)c(C)c1Cl
InChIInChI=1S/C13H14BrClN2O/c1-9-13(15)10(2)17(16-9)7-8-18-12-5-3-11(14)4-6-12/h3-6H,7-8H2,1-2H3
InChIKeyYFNJLWPXNGMZID-UHFFFAOYSA-N
MW329.62 g/mol
LogP3.99
Rot. Bonds4

About 1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole

1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole (PubChem CID 62129029) has the molecular formula C13H14BrClN2O and a molecular weight of 329.62 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole
PubChem CID62129029
Molecular FormulaC13H14BrClN2O
Molecular Weight329.62 g/mol
Exact Mass328.00
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole
SMILESCc1nn(CCOc2ccc(Br)cc2)c(C)c1Cl
InChIInChI=1S/C13H14BrClN2O/c1-9-13(15)10(2)17(16-9)7-8-18-12-5-3-11(14)4-6-12/h3-6H,7-8H2,1-2H3
InChIKeyYFNJLWPXNGMZID-UHFFFAOYSA-N
XLogP3.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.62
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-3,4,5-trimethylpyrazole
CID 54970941
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide
CID 63577103
1-[2-(4-bromophenoxy)ethyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 81336689
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide
CID 62129186
3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]aniline
CID 62128994
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methoxy]benzaldehyde
CID 19618621
[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine
CID 62130694
1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole
CID 114273362
2-[2-(4-bromophenoxy)ethyl]-5-methylpyridazin-3-one
CID 106548893
2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19542401
1-(4-bromobutyl)-4-chloro-3,5-dimethylpyrazole
CID 62131028
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19408814

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole (CID 62129029) is 1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole is Cc1nn(CCOc2ccc(Br)cc2)c(C)c1Cl.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole?
The InChIKey is YFNJLWPXNGMZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O/c1-9-13(15)10(2)17(16-9)7-8-18-12-5-3-11(14)4-6-12/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole?
1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole has a molecular weight of 329.62 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole is sourced from PubChem (CID 62129029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).