ethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate

C11H11ClN4O3 — CID 134480603

IUPACethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)nn2ccc(Cl)nc12
InChIInChI=1S/C11H11ClN4O3/c1-3-19-11(18)8-9(13-6(2)17)15-16-5-4-7(12)14-10(8)16/h4-5H,3H2,1-2H3,(H,13,15,17)
InChIKeyVYBMXGPXEXCVID-UHFFFAOYSA-N
MW282.69 g/mol
LogP1.52
Rot. Bonds3

About ethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 134480603) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is ethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID134480603
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC Nameethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)nn2ccc(Cl)nc12
InChIInChI=1S/C11H11ClN4O3/c1-3-19-11(18)8-9(13-6(2)17)15-16-5-4-7(12)14-10(8)16/h4-5H,3H2,1-2H3,(H,13,15,17)
InChIKeyVYBMXGPXEXCVID-UHFFFAOYSA-N
XLogP1.52
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-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 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 134480603) is ethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(NC(C)=O)nn2ccc(Cl)nc12.
What is the InChIKey of ethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is VYBMXGPXEXCVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-3-19-11(18)8-9(13-6(2)17)15-16-5-4-7(12)14-10(8)16/h4-5H,3H2,1-2H3,(H,13,15,17).
What are the key properties of ethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 282.69 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 134480603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).