[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol

C13H14Br2N2O2 — CID 107739097

IUPAC[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
SMILESCn1cc(CCOc2c(Br)cc(CO)cc2Br)cn1
InChIInChI=1S/C13H14Br2N2O2/c1-17-7-9(6-16-17)2-3-19-13-11(14)4-10(8-18)5-12(13)15/h4-7,18H,2-3,8H2,1H3
InChIKeyXNHMVBQTGQGYPK-UHFFFAOYSA-N
MW390.08 g/mol
LogP3.06
Rot. Bonds5

About [3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol

[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol (PubChem CID 107739097) has the molecular formula C13H14Br2N2O2 and a molecular weight of 390.08 g/mol. Its IUPAC name is [3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
PubChem CID107739097
Molecular FormulaC13H14Br2N2O2
Molecular Weight390.08 g/mol
Exact Mass387.94
IUPAC Name[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
SMILESCn1cc(CCOc2c(Br)cc(CO)cc2Br)cn1
InChIInChI=1S/C13H14Br2N2O2/c1-17-7-9(6-16-17)2-3-19-13-11(14)4-10(8-18)5-12(13)15/h4-7,18H,2-3,8H2,1H3
InChIKeyXNHMVBQTGQGYPK-UHFFFAOYSA-N
XLogP3.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.08
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003499
[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003622
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999366
N-[[3-bromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999740
[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 103003528
[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28933161
N-[[3-bromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999738
1-[3,5-dibromo-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741879
[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999868
[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003530
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003963
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
The IUPAC name of [3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol (CID 107739097) is [3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol is Cn1cc(CCOc2c(Br)cc(CO)cc2Br)cn1.
What is the InChIKey of [3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
The InChIKey is XNHMVBQTGQGYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O2/c1-17-7-9(6-16-17)2-3-19-13-11(14)4-10(8-18)5-12(13)15/h4-7,18H,2-3,8H2,1H3.
What are the key properties of [3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol has a molecular weight of 390.08 g/mol, XLogP of 3.06, 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-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 107739097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).