1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol

C11H13BrN2O2 — CID 106886253

IUPAC1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(CC(O)c2occc2Br)n(C)n1
InChIInChI=1S/C11H13BrN2O2/c1-7-5-8(14(2)13-7)6-10(15)11-9(12)3-4-16-11/h3-5,10,15H,6H2,1-2H3
InChIKeyASQSLAGVFQXIML-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.36
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol

1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol (PubChem CID 106886253) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
PubChem CID106886253
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(CC(O)c2occc2Br)n(C)n1
InChIInChI=1S/C11H13BrN2O2/c1-7-5-8(14(2)13-7)6-10(15)11-9(12)3-4-16-11/h3-5,10,15H,6H2,1-2H3
InChIKeyASQSLAGVFQXIML-UHFFFAOYSA-N
XLogP2.36
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 106693816
1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811518
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756242
1-(4-bromo-2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811446
1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106886384
1-(3-bromofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 63941255
1-(1,5-dimethylpyrazol-4-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79584013
1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811557
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanol
CID 63942630
1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115811450
1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol
CID 63942827
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol
CID 114255634

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol (CID 106886253) is 1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol is Cc1cc(CC(O)c2occc2Br)n(C)n1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol?
The InChIKey is ASQSLAGVFQXIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7-5-8(14(2)13-7)6-10(15)11-9(12)3-4-16-11/h3-5,10,15H,6H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol?
1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol has a molecular weight of 285.14 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 106886253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).