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

C12H9N3O2S — CID 4767067

IUPACmethyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)n2nccc2n1
InChIInChI=1S/C12H9N3O2S/c1-17-12(16)8-7-9(10-3-2-6-18-10)15-11(14-8)4-5-13-15/h2-7H,1H3
InChIKeyWJUZFPIMWRZDSS-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.24
Rot. Bonds2

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

methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 4767067) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID4767067
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Namemethyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)n2nccc2n1
InChIInChI=1S/C12H9N3O2S/c1-17-12(16)8-7-9(10-3-2-6-18-10)15-11(14-8)4-5-13-15/h2-7H,1H3
InChIKeyWJUZFPIMWRZDSS-UHFFFAOYSA-N
XLogP2.24
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 4767067) is methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate is COC(=O)c1cc(-c2cccs2)n2nccc2n1.
What is the InChIKey of methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is WJUZFPIMWRZDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-17-12(16)8-7-9(10-3-2-6-18-10)15-11(14-8)4-5-13-15/h2-7H,1H3.
What are the key properties of methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 259.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 4767067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).