ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate

C13H12N4O2 — CID 2727410

IUPACethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1cnn2c1nc(N)c1ccccc12
InChIInChI=1S/C13H12N4O2/c1-2-19-13(18)9-7-15-17-10-6-4-3-5-8(10)11(14)16-12(9)17/h3-7H,2H2,1H3,(H2,14,16)
InChIKeyQMAKXUSBZUAODT-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.64
Rot. Bonds2

About ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate

ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate (PubChem CID 2727410) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate
PubChem CID2727410
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Nameethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1cnn2c1nc(N)c1ccccc12
InChIInChI=1S/C13H12N4O2/c1-2-19-13(18)9-7-15-17-10-6-4-3-5-8(10)11(14)16-12(9)17/h3-7H,2H2,1H3,(H2,14,16)
InChIKeyQMAKXUSBZUAODT-UHFFFAOYSA-N
XLogP1.64
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-aminopyrazolo[1,5-a]quinazoline-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-aminopyrazolo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate (CID 2727410) is ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate is CCOC(=O)c1cnn2c1nc(N)c1ccccc12.
What is the InChIKey of ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is QMAKXUSBZUAODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-2-19-13(18)9-7-15-17-10-6-4-3-5-8(10)11(14)16-12(9)17/h3-7H,2H2,1H3,(H2,14,16).
What are the key properties of ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate?
ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-aminopyrazolo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 2727410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).