2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol

C11H18N2O — CID 79563587

IUPAC2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol
SMILESCc1ccn(CCC2CCCC2O)n1
InChIInChI=1S/C11H18N2O/c1-9-5-7-13(12-9)8-6-10-3-2-4-11(10)14/h5,7,10-11,14H,2-4,6,8H2,1H3
InChIKeyUADXDHAQTXMDMK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.74
Rot. Bonds3

About 2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol

2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol (PubChem CID 79563587) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol
PubChem CID79563587
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol
SMILESCc1ccn(CCC2CCCC2O)n1
InChIInChI=1S/C11H18N2O/c1-9-5-7-13(12-9)8-6-10-3-2-4-11(10)14/h5,7,10-11,14H,2-4,6,8H2,1H3
InChIKeyUADXDHAQTXMDMK-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol (CID 79563587) is 2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol is Cc1ccn(CCC2CCCC2O)n1.
What is the InChIKey of 2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol?
The InChIKey is UADXDHAQTXMDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-5-7-13(12-9)8-6-10-3-2-4-11(10)14/h5,7,10-11,14H,2-4,6,8H2,1H3.
What are the key properties of 2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol?
2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79563587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).