2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol

C13H16BrClN2O2 — CID 106693847

IUPAC2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2ccoc2Cl)c1Br
InChIInChI=1S/C13H16BrClN2O2/c1-3-9-12(14)10(17(4-2)16-9)7-11(18)8-5-6-19-13(8)15/h5-6,11,18H,3-4,7H2,1-2H3
InChIKeyANHLVEKQCSYSJW-UHFFFAOYSA-N
MW347.64 g/mol
LogP3.75
Rot. Bonds5

About 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol (PubChem CID 106693847) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol
PubChem CID106693847
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2ccoc2Cl)c1Br
InChIInChI=1S/C13H16BrClN2O2/c1-3-9-12(14)10(17(4-2)16-9)7-11(18)8-5-6-19-13(8)15/h5-6,11,18H,3-4,7H2,1-2H3
InChIKeyANHLVEKQCSYSJW-UHFFFAOYSA-N
XLogP3.75
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)-N-methylethanamine
CID 106692448
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethanol
CID 115816293
1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol
CID 107947613
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804208
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol
CID 115816341
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978492
[1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 106860035
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815316
1-(4-bromo-3-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 81432213
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-ethylhexane-2,3-diol
CID 103459826
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 115816337
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815329

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol?
The IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol (CID 106693847) is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol?
The canonical SMILES for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol is CCc1nn(CC)c(CC(O)c2ccoc2Cl)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol?
The InChIKey is ANHLVEKQCSYSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-3-9-12(14)10(17(4-2)16-9)7-11(18)8-5-6-19-13(8)15/h5-6,11,18H,3-4,7H2,1-2H3.
What are the key properties of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol?
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol has a molecular weight of 347.64 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol is sourced from PubChem (CID 106693847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).