[5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol

C13H15BrN2O2 — CID 112620958

IUPAC[5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCCn1cccn1
InChIInChI=1S/C13H15BrN2O2/c1-10-7-12(14)8-11(9-17)13(10)18-6-5-16-4-2-3-15-16/h2-4,7-8,17H,5-6,9H2,1H3
InChIKeyOAJQQCLJJCCRGR-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.53
Rot. Bonds5

About [5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol

[5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol (PubChem CID 112620958) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is [5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol
PubChem CID112620958
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name[5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCCn1cccn1
InChIInChI=1S/C13H15BrN2O2/c1-10-7-12(14)8-11(9-17)13(10)18-6-5-16-4-2-3-15-16/h2-4,7-8,17H,5-6,9H2,1H3
InChIKeyOAJQQCLJJCCRGR-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol
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1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one
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[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]methanol
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[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
CID 112621072
[5-bromo-2-[2-(3-bromophenoxy)ethoxy]-3-methylphenyl]methanol
CID 115962143
3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide
CID 65470611
N-[[5-bromo-3-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
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(5-bromo-2-methoxy-3-methylphenyl)methanol
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[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
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1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrazole
CID 80964955

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol?
The IUPAC name of [5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol (CID 112620958) is [5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol.
What is the SMILES notation for [5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol?
The canonical SMILES for [5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol is Cc1cc(Br)cc(CO)c1OCCn1cccn1.
What is the InChIKey of [5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol?
The InChIKey is OAJQQCLJJCCRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-10-7-12(14)8-11(9-17)13(10)18-6-5-16-4-2-3-15-16/h2-4,7-8,17H,5-6,9H2,1H3.
What are the key properties of [5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol?
[5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol has a molecular weight of 311.18 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol is sourced from PubChem (CID 112620958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).