5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole

C13H22N2O — CID 119052331

IUPAC5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole
SMILESCc1nn(C)c(OCCC2CCCC2)c1C
InChIInChI=1S/C13H22N2O/c1-10-11(2)14-15(3)13(10)16-9-8-12-6-4-5-7-12/h12H,4-9H2,1-3H3
InChIKeyGNPHLQFCSJAQOK-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.00
Rot. Bonds4

About 5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole

5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole (PubChem CID 119052331) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole.

Molecular Properties

Compound Name5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole
PubChem CID119052331
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole
SMILESCc1nn(C)c(OCCC2CCCC2)c1C
InChIInChI=1S/C13H22N2O/c1-10-11(2)14-15(3)13(10)16-9-8-12-6-4-5-7-12/h12H,4-9H2,1-3H3
InChIKeyGNPHLQFCSJAQOK-UHFFFAOYSA-N
XLogP3.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole?
The IUPAC name of 5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole (CID 119052331) is 5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole.
What is the SMILES notation for 5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole?
The canonical SMILES for 5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole is Cc1nn(C)c(OCCC2CCCC2)c1C.
What is the InChIKey of 5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole?
The InChIKey is GNPHLQFCSJAQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-11(2)14-15(3)13(10)16-9-8-12-6-4-5-7-12/h12H,4-9H2,1-3H3.
What are the key properties of 5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole?
5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole has a molecular weight of 222.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethoxy)-1,3,4-trimethylpyrazole is sourced from PubChem (CID 119052331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).