3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine

C12H13BrClN3 — CID 89365467

IUPAC3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(c1cc(Cl)n2ncc(Br)c2n1)C1CCC1
InChIInChI=1S/C12H13BrClN3/c1-7(8-3-2-4-8)10-5-11(14)17-12(16-10)9(13)6-15-17/h5-8H,2-4H2,1H3
InChIKeyHHOXCODIUCKRKU-UHFFFAOYSA-N
MW314.61 g/mol
LogP4.05
Rot. Bonds2

About 3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine

3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 89365467) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID89365467
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC Name3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(c1cc(Cl)n2ncc(Br)c2n1)C1CCC1
InChIInChI=1S/C12H13BrClN3/c1-7(8-3-2-4-8)10-5-11(14)17-12(16-10)9(13)6-15-17/h5-8H,2-4H2,1H3
InChIKeyHHOXCODIUCKRKU-UHFFFAOYSA-N
XLogP4.05
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine (CID 89365467) is 3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine is CC(c1cc(Cl)n2ncc(Br)c2n1)C1CCC1.
What is the InChIKey of 3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is HHOXCODIUCKRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3/c1-7(8-3-2-4-8)10-5-11(14)17-12(16-10)9(13)6-15-17/h5-8H,2-4H2,1H3.
What are the key properties of 3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 314.61 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-5-(1-cyclobutylethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 89365467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).