ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate

C18H27N3O3 — CID 167875578

IUPACethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CCCC2)n(CC(=O)N2CCCCC2)n1
InChIInChI=1S/C18H27N3O3/c1-2-24-18(23)15-12-16(14-8-4-5-9-14)21(19-15)13-17(22)20-10-6-3-7-11-20/h12,14H,2-11,13H2,1H3
InChIKeyHTIYRJSAVWUAFF-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.73
Rot. Bonds5

About ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate

ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate (PubChem CID 167875578) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate
PubChem CID167875578
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nameethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C2CCCC2)n(CC(=O)N2CCCCC2)n1
InChIInChI=1S/C18H27N3O3/c1-2-24-18(23)15-12-16(14-8-4-5-9-14)21(19-15)13-17(22)20-10-6-3-7-11-20/h12,14H,2-11,13H2,1H3
InChIKeyHTIYRJSAVWUAFF-UHFFFAOYSA-N
XLogP2.73
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate 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 ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate (CID 167875578) is ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(C2CCCC2)n(CC(=O)N2CCCCC2)n1.
What is the InChIKey of ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate?
The InChIKey is HTIYRJSAVWUAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-24-18(23)15-12-16(14-8-4-5-9-14)21(19-15)13-17(22)20-10-6-3-7-11-20/h12,14H,2-11,13H2,1H3.
What are the key properties of ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate?
ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 167875578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).