2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine

C11H19N3 — CID 83878558

IUPAC2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine
SMILESCc1nn(C2CCCC2)cc1CCN
InChIInChI=1S/C11H19N3/c1-9-10(6-7-12)8-14(13-9)11-4-2-3-5-11/h8,11H,2-7,12H2,1H3
InChIKeyBMEWQHWGISTWCE-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.81
Rot. Bonds3

About 2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine

2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine (PubChem CID 83878558) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine
PubChem CID83878558
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine
SMILESCc1nn(C2CCCC2)cc1CCN
InChIInChI=1S/C11H19N3/c1-9-10(6-7-12)8-14(13-9)11-4-2-3-5-11/h8,11H,2-7,12H2,1H3
InChIKeyBMEWQHWGISTWCE-UHFFFAOYSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine (CID 83878558) is 2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine is Cc1nn(C2CCCC2)cc1CCN.
What is the InChIKey of 2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine?
The InChIKey is BMEWQHWGISTWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-10(6-7-12)8-14(13-9)11-4-2-3-5-11/h8,11H,2-7,12H2,1H3.
What are the key properties of 2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine?
2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 83878558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).