2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol

C16H24N2O2 — CID 64785484

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
SMILESOC(Cc1ccn(C2CCCC2)n1)C1CC2CCC1O2
InChIInChI=1S/C16H24N2O2/c19-15(14-10-13-5-6-16(14)20-13)9-11-7-8-18(17-11)12-3-1-2-4-12/h7-8,12-16,19H,1-6,9-10H2
InChIKeyFIOSJRHUOMAZGK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.47
Rot. Bonds4

About 2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol

2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol (PubChem CID 64785484) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
PubChem CID64785484
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
SMILESOC(Cc1ccn(C2CCCC2)n1)C1CC2CCC1O2
InChIInChI=1S/C16H24N2O2/c19-15(14-10-13-5-6-16(14)20-13)9-11-7-8-18(17-11)12-3-1-2-4-12/h7-8,12-16,19H,1-6,9-10H2
InChIKeyFIOSJRHUOMAZGK-UHFFFAOYSA-N
XLogP2.47
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 115804990
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1-(3-bromofuran-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 106886364
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
2-cyclopentyl-3-(1-cyclopentylpyrazol-3-yl)propan-1-amine
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1-(1-cyclohexylpyrazol-3-yl)-3-phenylpropan-2-ol
CID 64784664
3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol
CID 79495174
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CID 79616778

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol (CID 64785484) is 2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol is OC(Cc1ccn(C2CCCC2)n1)C1CC2CCC1O2.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
The InChIKey is FIOSJRHUOMAZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-15(14-10-13-5-6-16(14)20-13)9-11-7-8-18(17-11)12-3-1-2-4-12/h7-8,12-16,19H,1-6,9-10H2.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol has a molecular weight of 276.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol is sourced from PubChem (CID 64785484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).