1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol

C15H19BrN2O3 — CID 114633531

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol
SMILESCOCCn1ncc(Br)c1C(C)(O)c1ccccc1OC
InChIInChI=1S/C15H19BrN2O3/c1-15(19,11-6-4-5-7-13(11)21-3)14-12(16)10-17-18(14)8-9-20-2/h4-7,10,19H,8-9H2,1-3H3
InChIKeyAJGADIVIUYOSBF-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.56
Rot. Bonds6

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol (PubChem CID 114633531) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol
PubChem CID114633531
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol
SMILESCOCCn1ncc(Br)c1C(C)(O)c1ccccc1OC
InChIInChI=1S/C15H19BrN2O3/c1-15(19,11-6-4-5-7-13(11)21-3)14-12(16)10-17-18(14)8-9-20-2/h4-7,10,19H,8-9H2,1-3H3
InChIKeyAJGADIVIUYOSBF-UHFFFAOYSA-N
XLogP2.56
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol
CID 114633798
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-methoxyphenyl)ethanol
CID 114633518
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-methylphenyl)ethanol
CID 114633334
1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114633501
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methylphenyl)ethanol
CID 114633352
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638175
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropane-1,2-diol
CID 103449119
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-3-methylbutan-1-amine
CID 114667014
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethylpropan-1-one
CID 114639308
1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638169
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-one
CID 114668734
1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol
CID 114684136

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol (CID 114633531) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol is COCCn1ncc(Br)c1C(C)(O)c1ccccc1OC.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol?
The InChIKey is AJGADIVIUYOSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-15(19,11-6-4-5-7-13(11)21-3)14-12(16)10-17-18(14)8-9-20-2/h4-7,10,19H,8-9H2,1-3H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol has a molecular weight of 355.23 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 114633531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).