N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide

C18H24N4O2 — CID 90555872

IUPACN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1cc(-c2ccccn2)n(C2CCCC2)n1
InChIInChI=1S/C18H24N4O2/c1-2-24-13-18(23)20-12-14-11-17(16-9-5-6-10-19-16)22(21-14)15-7-3-4-8-15/h5-6,9-11,15H,2-4,7-8,12-13H2,1H3,(H,20,23)
InChIKeyWKIYWSDZCYWRMW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.71
Rot. Bonds7

About N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide (PubChem CID 90555872) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide
PubChem CID90555872
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1cc(-c2ccccn2)n(C2CCCC2)n1
InChIInChI=1S/C18H24N4O2/c1-2-24-13-18(23)20-12-14-11-17(16-9-5-6-10-19-16)22(21-14)15-7-3-4-8-15/h5-6,9-11,15H,2-4,7-8,12-13H2,1H3,(H,20,23)
InChIKeyWKIYWSDZCYWRMW-UHFFFAOYSA-N
XLogP2.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide (CID 90555872) is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide is CCOCC(=O)NCc1cc(-c2ccccn2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide?
The InChIKey is WKIYWSDZCYWRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-24-13-18(23)20-12-14-11-17(16-9-5-6-10-19-16)22(21-14)15-7-3-4-8-15/h5-6,9-11,15H,2-4,7-8,12-13H2,1H3,(H,20,23).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide?
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide has a molecular weight of 328.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide is sourced from PubChem (CID 90555872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).