1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol

C14H17BrN2O2 — CID 106859308

IUPAC1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccn(C2CCCC2)n1)c1ccoc1Br
InChIInChI=1S/C14H17BrN2O2/c15-14-12(6-8-19-14)13(18)9-10-5-7-17(16-10)11-3-1-2-4-11/h5-8,11,13,18H,1-4,9H2
InChIKeyOAQGVQBGECWHBB-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.63
Rot. Bonds4

About 1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol

1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol (PubChem CID 106859308) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
PubChem CID106859308
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccn(C2CCCC2)n1)c1ccoc1Br
InChIInChI=1S/C14H17BrN2O2/c15-14-12(6-8-19-14)13(18)9-10-5-7-17(16-10)11-3-1-2-4-11/h5-8,11,13,18H,1-4,9H2
InChIKeyOAQGVQBGECWHBB-UHFFFAOYSA-N
XLogP3.63
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromofuran-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 106886364
1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64786012
1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64784263
2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol
CID 115805134
1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 115810015
1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64784262
1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785473
1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64785666
1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 65362107
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 66425230
1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785466
1-(1-cyclohexylpyrazol-3-yl)-3-phenylpropan-2-ol
CID 64784664

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol (CID 106859308) is 1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol is OC(Cc1ccn(C2CCCC2)n1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The InChIKey is OAQGVQBGECWHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-14-12(6-8-19-14)13(18)9-10-5-7-17(16-10)11-3-1-2-4-11/h5-8,11,13,18H,1-4,9H2.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol has a molecular weight of 325.21 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol is sourced from PubChem (CID 106859308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).