ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C14H13N3O2S — CID 2736452

IUPACethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3cccs3)nn2c1C
InChIInChI=1S/C14H13N3O2S/c1-3-19-14(18)10-8-15-13-7-11(12-5-4-6-20-12)16-17(13)9(10)2/h4-8H,3H2,1-2H3
InChIKeyCBRIFKWJWUKPOW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.94
Rot. Bonds3

About ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 2736452) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID2736452
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Nameethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3cccs3)nn2c1C
InChIInChI=1S/C14H13N3O2S/c1-3-19-14(18)10-8-15-13-7-11(12-5-4-6-20-12)16-17(13)9(10)2/h4-8H,3H2,1-2H3
InChIKeyCBRIFKWJWUKPOW-UHFFFAOYSA-N
XLogP2.94
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-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 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 2736452) is ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(-c3cccs3)nn2c1C.
What is the InChIKey of ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is CBRIFKWJWUKPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-3-19-14(18)10-8-15-13-7-11(12-5-4-6-20-12)16-17(13)9(10)2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2736452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).