4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole

C13H14Br2N2O2 — CID 83140822

IUPAC4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
SMILESCOc1cccc(Br)c1OCc1c(Br)c(C)nn1C
InChIInChI=1S/C13H14Br2N2O2/c1-8-12(15)10(17(2)16-8)7-19-13-9(14)5-4-6-11(13)18-3/h4-6H,7H2,1-3H3
InChIKeyRIVLMBHSSSESPC-UHFFFAOYSA-N
MW390.08 g/mol
LogP3.84
Rot. Bonds4

About 4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole

4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole (PubChem CID 83140822) has the molecular formula C13H14Br2N2O2 and a molecular weight of 390.08 g/mol. Its IUPAC name is 4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
PubChem CID83140822
Molecular FormulaC13H14Br2N2O2
Molecular Weight390.08 g/mol
Exact Mass387.94
IUPAC Name4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
SMILESCOc1cccc(Br)c1OCc1c(Br)c(C)nn1C
InChIInChI=1S/C13H14Br2N2O2/c1-8-12(15)10(17(2)16-8)7-19-13-9(14)5-4-6-11(13)18-3/h4-6H,7H2,1-3H3
InChIKeyRIVLMBHSSSESPC-UHFFFAOYSA-N
XLogP3.84
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.08
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]quinoline
CID 103045463
4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
CID 107667685
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 105000224
4-bromo-3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]aniline
CID 103008965
6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine
CID 83140412
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77103654
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(2-chloro-6-methoxyphenyl)methanamine
CID 103292258
4-bromo-5-[[4-bromo-2-(bromomethyl)-6-methylphenoxy]methyl]-1,3-dimethylpyrazole
CID 115962382
2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 83140307
1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
CID 83140157
5-(2-bromo-6-methoxyphenoxy)pentane-1-thiol
CID 83134542
4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole
CID 116794058

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole?
The IUPAC name of 4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole (CID 83140822) is 4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole is COc1cccc(Br)c1OCc1c(Br)c(C)nn1C.
What is the InChIKey of 4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole?
The InChIKey is RIVLMBHSSSESPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O2/c1-8-12(15)10(17(2)16-8)7-19-13-9(14)5-4-6-11(13)18-3/h4-6H,7H2,1-3H3.
What are the key properties of 4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole?
4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole has a molecular weight of 390.08 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 83140822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).