1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol

C12H14BrN3O2 — CID 65361933

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cn[nH]c2N)c1
InChIInChI=1S/C12H14BrN3O2/c1-18-8-2-3-10(13)7(4-8)5-11(17)9-6-15-16-12(9)14/h2-4,6,11,17H,5H2,1H3,(H3,14,15,16)
InChIKeyCTUBKNQAXMUDDE-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.04
Rot. Bonds4

About 1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol

1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol (PubChem CID 65361933) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
PubChem CID65361933
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cn[nH]c2N)c1
InChIInChI=1S/C12H14BrN3O2/c1-18-8-2-3-10(13)7(4-8)5-11(17)9-6-15-16-12(9)14/h2-4,6,11,17H,5H2,1H3,(H3,14,15,16)
InChIKeyCTUBKNQAXMUDDE-UHFFFAOYSA-N
XLogP2.04
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363113
1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 107969674
1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol
CID 65361725
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114853149
2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105100016
2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105100041
(5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103395395
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230474
1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 106886367
1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol
CID 65362046

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol (CID 65361933) is 1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol is COc1ccc(Br)c(CC(O)c2cn[nH]c2N)c1.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol?
The InChIKey is CTUBKNQAXMUDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-18-8-2-3-10(13)7(4-8)5-11(17)9-6-15-16-12(9)14/h2-4,6,11,17H,5H2,1H3,(H3,14,15,16).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol?
1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol has a molecular weight of 312.17 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol is sourced from PubChem (CID 65361933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).