diethyl 5-aminopyrazole-1,4-dicarboxylate

C9H13N3O4 — CID 573130

IUPACdiethyl 5-aminopyrazole-1,4-dicarboxylate
SMILESCCOC(=O)c1cnn(C(=O)OCC)c1N
InChIInChI=1S/C9H13N3O4/c1-3-15-8(13)6-5-11-12(7(6)10)9(14)16-4-2/h5H,3-4,10H2,1-2H3
InChIKeyIXDAMGOOPXGHDW-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.65
Rot. Bonds3

About diethyl 5-aminopyrazole-1,4-dicarboxylate

diethyl 5-aminopyrazole-1,4-dicarboxylate (PubChem CID 573130) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is diethyl 5-aminopyrazole-1,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-aminopyrazole-1,4-dicarboxylate
PubChem CID573130
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Namediethyl 5-aminopyrazole-1,4-dicarboxylate
SMILESCCOC(=O)c1cnn(C(=O)OCC)c1N
InChIInChI=1S/C9H13N3O4/c1-3-15-8(13)6-5-11-12(7(6)10)9(14)16-4-2/h5H,3-4,10H2,1-2H3
InChIKeyIXDAMGOOPXGHDW-UHFFFAOYSA-N
XLogP0.65
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze diethyl 5-aminopyrazole-1,4-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 5-aminopyrazole-1,4-dicarboxylate?
The IUPAC name of diethyl 5-aminopyrazole-1,4-dicarboxylate (CID 573130) is diethyl 5-aminopyrazole-1,4-dicarboxylate.
What is the SMILES notation for diethyl 5-aminopyrazole-1,4-dicarboxylate?
The canonical SMILES for diethyl 5-aminopyrazole-1,4-dicarboxylate is CCOC(=O)c1cnn(C(=O)OCC)c1N.
What is the InChIKey of diethyl 5-aminopyrazole-1,4-dicarboxylate?
The InChIKey is IXDAMGOOPXGHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-3-15-8(13)6-5-11-12(7(6)10)9(14)16-4-2/h5H,3-4,10H2,1-2H3.
What are the key properties of diethyl 5-aminopyrazole-1,4-dicarboxylate?
diethyl 5-aminopyrazole-1,4-dicarboxylate has a molecular weight of 227.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-aminopyrazole-1,4-dicarboxylate is sourced from PubChem (CID 573130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).