5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine

C10H9Cl2N3 — CID 155104261

IUPAC5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2ncc(C3CCC3)c2n1
InChIInChI=1S/C10H9Cl2N3/c11-8-4-9(12)15-10(14-8)7(5-13-15)6-2-1-3-6/h4-6H,1-3H2
InChIKeyVQUDJNWXDZDLJJ-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.30
Rot. Bonds1

About 5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine

5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine (PubChem CID 155104261) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine
PubChem CID155104261
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2ncc(C3CCC3)c2n1
InChIInChI=1S/C10H9Cl2N3/c11-8-4-9(12)15-10(14-8)7(5-13-15)6-2-1-3-6/h4-6H,1-3H2
InChIKeyVQUDJNWXDZDLJJ-UHFFFAOYSA-N
XLogP3.30
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine (CID 155104261) is 5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine is Clc1cc(Cl)n2ncc(C3CCC3)c2n1.
What is the InChIKey of 5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VQUDJNWXDZDLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-8-4-9(12)15-10(14-8)7(5-13-15)6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine has a molecular weight of 242.11 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155104261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).