2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine

C11H19N3O — CID 117125339

IUPAC2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine
SMILESCNCCn1cc(OC2CCCC2)cn1
InChIInChI=1S/C11H19N3O/c1-12-6-7-14-9-11(8-13-14)15-10-4-2-3-5-10/h8-10,12H,2-7H2,1H3
InChIKeyPVCSSBFVQWZZOQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.42
Rot. Bonds5

About 2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine

2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine (PubChem CID 117125339) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine
PubChem CID117125339
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine
SMILESCNCCn1cc(OC2CCCC2)cn1
InChIInChI=1S/C11H19N3O/c1-12-6-7-14-9-11(8-13-14)15-10-4-2-3-5-10/h8-10,12H,2-7H2,1H3
InChIKeyPVCSSBFVQWZZOQ-UHFFFAOYSA-N
XLogP1.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine?
The IUPAC name of 2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine (CID 117125339) is 2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine is CNCCn1cc(OC2CCCC2)cn1.
What is the InChIKey of 2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine?
The InChIKey is PVCSSBFVQWZZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-12-6-7-14-9-11(8-13-14)15-10-4-2-3-5-10/h8-10,12H,2-7H2,1H3.
What are the key properties of 2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine?
2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine is sourced from PubChem (CID 117125339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).