diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate

C12H14N4O4 — CID 2816389

IUPACdiethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate
SMILESCCOC(=O)c1cnc2c(C(=O)OCC)cnn2c1N
InChIInChI=1S/C12H14N4O4/c1-3-19-11(17)7-5-14-10-8(12(18)20-4-2)6-15-16(10)9(7)13/h5-6H,3-4,13H2,1-2H3
InChIKeyNXFDIPGZEWOPDX-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.66
Rot. Bonds4

About diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate

diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate (PubChem CID 2816389) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate
PubChem CID2816389
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Namediethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate
SMILESCCOC(=O)c1cnc2c(C(=O)OCC)cnn2c1N
InChIInChI=1S/C12H14N4O4/c1-3-19-11(17)7-5-14-10-8(12(18)20-4-2)6-15-16(10)9(7)13/h5-6H,3-4,13H2,1-2H3
InChIKeyNXFDIPGZEWOPDX-UHFFFAOYSA-N
XLogP0.66
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate?
The IUPAC name of diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate (CID 2816389) is diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate.
What is the SMILES notation for diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate?
The canonical SMILES for diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate is CCOC(=O)c1cnc2c(C(=O)OCC)cnn2c1N.
What is the InChIKey of diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate?
The InChIKey is NXFDIPGZEWOPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-3-19-11(17)7-5-14-10-8(12(18)20-4-2)6-15-16(10)9(7)13/h5-6H,3-4,13H2,1-2H3.
What are the key properties of diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate?
diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate has a molecular weight of 278.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate is sourced from PubChem (CID 2816389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).