3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine

C9H9BrClN3 — CID 21066430

IUPAC3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C9H9BrClN3/c1-2-3-6-4-8(11)14-9(13-6)7(10)5-12-14/h4-5H,2-3H2,1H3
InChIKeyCQFQORSKAPOKNU-UHFFFAOYSA-N
MW274.55 g/mol
LogP3.10
Rot. Bonds2

About 3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine

3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine (PubChem CID 21066430) has the molecular formula C9H9BrClN3 and a molecular weight of 274.55 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine
PubChem CID21066430
Molecular FormulaC9H9BrClN3
Molecular Weight274.55 g/mol
Exact Mass272.97
IUPAC Name3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C9H9BrClN3/c1-2-3-6-4-8(11)14-9(13-6)7(10)5-12-14/h4-5H,2-3H2,1H3
InChIKeyCQFQORSKAPOKNU-UHFFFAOYSA-N
XLogP3.10
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 53.10
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-propylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine (CID 21066430) is 3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine is CCCc1cc(Cl)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CQFQORSKAPOKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3/c1-2-3-6-4-8(11)14-9(13-6)7(10)5-12-14/h4-5H,2-3H2,1H3.
What are the key properties of 3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-propylpyrazolo[1,5-a]pyrimidine has a molecular weight of 274.55 g/mol, XLogP of 3.10, 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-propylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21066430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).