[3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol

C14H16Br2N2O2 — CID 107739141

IUPAC[3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol
SMILESCC(C)n1ccc(COc2c(Br)cc(CO)cc2Br)n1
InChIInChI=1S/C14H16Br2N2O2/c1-9(2)18-4-3-11(17-18)8-20-14-12(15)5-10(7-19)6-13(14)16/h3-6,9,19H,7-8H2,1-2H3
InChIKeyXOLVQGBAUGFKIS-UHFFFAOYSA-N
MW404.10 g/mol
LogP4.06
Rot. Bonds5

About [3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol

[3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol (PubChem CID 107739141) has the molecular formula C14H16Br2N2O2 and a molecular weight of 404.10 g/mol. Its IUPAC name is [3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol
PubChem CID107739141
Molecular FormulaC14H16Br2N2O2
Molecular Weight404.10 g/mol
Exact Mass401.96
IUPAC Name[3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol
SMILESCC(C)n1ccc(COc2c(Br)cc(CO)cc2Br)n1
InChIInChI=1S/C14H16Br2N2O2/c1-9(2)18-4-3-11(17-18)8-20-14-12(15)5-10(7-19)6-13(14)16/h3-6,9,19H,7-8H2,1-2H3
InChIKeyXOLVQGBAUGFKIS-UHFFFAOYSA-N
XLogP4.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.10
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-dibromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 107741450
3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64771488
3-[(2-bromo-5-fluorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 81496305
3-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772922
3-[[4-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772205
N-[[3,5-dibromo-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 107742010
[3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol
CID 107739065
[3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol
CID 107738846
[3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol
CID 107739058
[5-bromo-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methylphenyl]methanol
CID 115962229
3-[(2,5-dichlorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 78967539
5-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 64772330

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol (CID 107739141) is [3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol is CC(C)n1ccc(COc2c(Br)cc(CO)cc2Br)n1.
What is the InChIKey of [3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol?
The InChIKey is XOLVQGBAUGFKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O2/c1-9(2)18-4-3-11(17-18)8-20-14-12(15)5-10(7-19)6-13(14)16/h3-6,9,19H,7-8H2,1-2H3.
What are the key properties of [3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol?
[3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol has a molecular weight of 404.10 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 107739141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).