1-(2-cyclopentylethyl)pyrazole

C10H16N2 — CID 57072878

IUPAC1-(2-cyclopentylethyl)pyrazole
SMILESc1cnn(CCC2CCCC2)c1
InChIInChI=1S/C10H16N2/c1-2-5-10(4-1)6-9-12-8-3-7-11-12/h3,7-8,10H,1-2,4-6,9H2
InChIKeyBAPVGKUQFBOQRS-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.46
Rot. Bonds3

About 1-(2-cyclopentylethyl)pyrazole

1-(2-cyclopentylethyl)pyrazole (PubChem CID 57072878) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)pyrazole.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)pyrazole
PubChem CID57072878
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-(2-cyclopentylethyl)pyrazole
SMILESc1cnn(CCC2CCCC2)c1
InChIInChI=1S/C10H16N2/c1-2-5-10(4-1)6-9-12-8-3-7-11-12/h3,7-8,10H,1-2,4-6,9H2
InChIKeyBAPVGKUQFBOQRS-UHFFFAOYSA-N
XLogP2.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)pyrazole?
The IUPAC name of 1-(2-cyclopentylethyl)pyrazole (CID 57072878) is 1-(2-cyclopentylethyl)pyrazole.
What is the SMILES notation for 1-(2-cyclopentylethyl)pyrazole?
The canonical SMILES for 1-(2-cyclopentylethyl)pyrazole is c1cnn(CCC2CCCC2)c1.
What is the InChIKey of 1-(2-cyclopentylethyl)pyrazole?
The InChIKey is BAPVGKUQFBOQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-5-10(4-1)6-9-12-8-3-7-11-12/h3,7-8,10H,1-2,4-6,9H2.
What are the key properties of 1-(2-cyclopentylethyl)pyrazole?
1-(2-cyclopentylethyl)pyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)pyrazole is sourced from PubChem (CID 57072878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).