5-ethoxypyrazolo[1,5-a]pyrimidine

C8H9N3O — CID 155379648

IUPAC5-ethoxypyrazolo[1,5-a]pyrimidine
SMILESCCOc1ccn2nccc2n1
InChIInChI=1S/C8H9N3O/c1-2-12-8-4-6-11-7(10-8)3-5-9-11/h3-6H,2H2,1H3
InChIKeyARDSFNQHASMFSI-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.13
Rot. Bonds2

About 5-ethoxypyrazolo[1,5-a]pyrimidine

5-ethoxypyrazolo[1,5-a]pyrimidine (PubChem CID 155379648) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-ethoxypyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-ethoxypyrazolo[1,5-a]pyrimidine
PubChem CID155379648
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-ethoxypyrazolo[1,5-a]pyrimidine
SMILESCCOc1ccn2nccc2n1
InChIInChI=1S/C8H9N3O/c1-2-12-8-4-6-11-7(10-8)3-5-9-11/h3-6H,2H2,1H3
InChIKeyARDSFNQHASMFSI-UHFFFAOYSA-N
XLogP1.13
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxypyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-ethoxypyrazolo[1,5-a]pyrimidine (CID 155379648) is 5-ethoxypyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-ethoxypyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-ethoxypyrazolo[1,5-a]pyrimidine is CCOc1ccn2nccc2n1.
What is the InChIKey of 5-ethoxypyrazolo[1,5-a]pyrimidine?
The InChIKey is ARDSFNQHASMFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-2-12-8-4-6-11-7(10-8)3-5-9-11/h3-6H,2H2,1H3.
What are the key properties of 5-ethoxypyrazolo[1,5-a]pyrimidine?
5-ethoxypyrazolo[1,5-a]pyrimidine has a molecular weight of 163.18 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxypyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155379648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).