4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one

C12H11N3OS — CID 3073476

IUPAC4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ccc(=O)n2nc(-c3cccs3)cc12
InChIInChI=1S/C12H11N3OS/c1-2-14-6-5-12(16)15-11(14)8-9(13-15)10-4-3-7-17-10/h3-8H,2H2,1H3
InChIKeyHRRZBYPYLUKEMM-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.24
Rot. Bonds2

About 4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one

4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 3073476) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID3073476
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ccc(=O)n2nc(-c3cccs3)cc12
InChIInChI=1S/C12H11N3OS/c1-2-14-6-5-12(16)15-11(14)8-9(13-15)10-4-3-7-17-10/h3-8H,2H2,1H3
InChIKeyHRRZBYPYLUKEMM-UHFFFAOYSA-N
XLogP2.24
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 3073476) is 4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one is CCn1ccc(=O)n2nc(-c3cccs3)cc12.
What is the InChIKey of 4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HRRZBYPYLUKEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-2-14-6-5-12(16)15-11(14)8-9(13-15)10-4-3-7-17-10/h3-8H,2H2,1H3.
What are the key properties of 4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 245.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 3073476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).