7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine

C13H16ClN3 — CID 82269944

IUPAC7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(Cl)n2nc(C3CCC3)cc2n1
InChIInChI=1S/C13H16ClN3/c1-2-4-10-7-12(14)17-13(15-10)8-11(16-17)9-5-3-6-9/h7-9H,2-6H2,1H3
InChIKeyLSKUENDUNIMKIF-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.60
Rot. Bonds3

About 7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine

7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine (PubChem CID 82269944) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine
PubChem CID82269944
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(Cl)n2nc(C3CCC3)cc2n1
InChIInChI=1S/C13H16ClN3/c1-2-4-10-7-12(14)17-13(15-10)8-11(16-17)9-5-3-6-9/h7-9H,2-6H2,1H3
InChIKeyLSKUENDUNIMKIF-UHFFFAOYSA-N
XLogP3.60
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine (CID 82269944) is 7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine is CCCc1cc(Cl)n2nc(C3CCC3)cc2n1.
What is the InChIKey of 7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine?
The InChIKey is LSKUENDUNIMKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-4-10-7-12(14)17-13(15-10)8-11(16-17)9-5-3-6-9/h7-9H,2-6H2,1H3.
What are the key properties of 7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine?
7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine has a molecular weight of 249.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82269944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).