diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate

C14H20N2O4 — CID 125461582

IUPACdiethyl 1-cyclopentylpyrazole-3,5-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)n(C2CCCC2)n1
InChIInChI=1S/C14H20N2O4/c1-3-19-13(17)11-9-12(14(18)20-4-2)16(15-11)10-7-5-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyNOLYVYIOQLXLBU-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.35
Rot. Bonds5

About diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate

diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate (PubChem CID 125461582) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-cyclopentylpyrazole-3,5-dicarboxylate
PubChem CID125461582
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namediethyl 1-cyclopentylpyrazole-3,5-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)n(C2CCCC2)n1
InChIInChI=1S/C14H20N2O4/c1-3-19-13(17)11-9-12(14(18)20-4-2)16(15-11)10-7-5-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyNOLYVYIOQLXLBU-UHFFFAOYSA-N
XLogP2.35
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate 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 diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate?
The IUPAC name of diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate (CID 125461582) is diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate?
The canonical SMILES for diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate is CCOC(=O)c1cc(C(=O)OCC)n(C2CCCC2)n1.
What is the InChIKey of diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate?
The InChIKey is NOLYVYIOQLXLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-19-13(17)11-9-12(14(18)20-4-2)16(15-11)10-7-5-6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate?
diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate is sourced from PubChem (CID 125461582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).