4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole

C14H15Br3N2O2 — CID 79406350

IUPAC4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(COc2cc(Br)c(OC)cc2Br)c1Br
InChIInChI=1S/C14H15Br3N2O2/c1-4-10-14(17)11(19(2)18-10)7-21-13-6-8(15)12(20-3)5-9(13)16/h5-6H,4,7H2,1-3H3
InChIKeyNGJFKPDNQAXSQO-UHFFFAOYSA-N
MW483.00 g/mol
LogP4.86
Rot. Bonds5

About 4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole

4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole (PubChem CID 79406350) has the molecular formula C14H15Br3N2O2 and a molecular weight of 483.00 g/mol. Its IUPAC name is 4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole
PubChem CID79406350
Molecular FormulaC14H15Br3N2O2
Molecular Weight483.00 g/mol
Exact Mass479.87
IUPAC Name4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)c(COc2cc(Br)c(OC)cc2Br)c1Br
InChIInChI=1S/C14H15Br3N2O2/c1-4-10-14(17)11(19(2)18-10)7-21-13-6-8(15)12(20-3)5-9(13)16/h5-6H,4,7H2,1-3H3
InChIKeyNGJFKPDNQAXSQO-UHFFFAOYSA-N
XLogP4.86
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.00
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-fluorobenzoic acid
CID 115297984
4-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylsulfanyl]-3-methoxyaniline
CID 79829816
4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
CID 107667685
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
CID 79529092
5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116629806
4-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666576
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-chloro-3-methoxyaniline
CID 107621471
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-2-methoxyphenyl)ethanone
CID 114978086
[5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol
CID 79800276
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104998494
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-bromo-5-methoxyphenyl)ethanamine
CID 105157550

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole?
The IUPAC name of 4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole (CID 79406350) is 4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole.
What is the SMILES notation for 4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole?
The canonical SMILES for 4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole is CCc1nn(C)c(COc2cc(Br)c(OC)cc2Br)c1Br.
What is the InChIKey of 4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole?
The InChIKey is NGJFKPDNQAXSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br3N2O2/c1-4-10-14(17)11(19(2)18-10)7-21-13-6-8(15)12(20-3)5-9(13)16/h5-6H,4,7H2,1-3H3.
What are the key properties of 4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole?
4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole has a molecular weight of 483.00 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole is sourced from PubChem (CID 79406350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).