3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

C9H9BrClN3 — CID 21035743

IUPAC3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C9H9BrClN3/c1-5(2)7-3-8(11)14-9(13-7)6(10)4-12-14/h3-5H,1-2H3
InChIKeyCAUXXZIXCIBWQZ-UHFFFAOYSA-N
MW274.55 g/mol
LogP3.27
Rot. Bonds1

About 3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 21035743) has the molecular formula C9H9BrClN3 and a molecular weight of 274.55 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID21035743
Molecular FormulaC9H9BrClN3
Molecular Weight274.55 g/mol
Exact Mass272.97
IUPAC Name3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C9H9BrClN3/c1-5(2)7-3-8(11)14-9(13-7)6(10)4-12-14/h3-5H,1-2H3
InChIKeyCAUXXZIXCIBWQZ-UHFFFAOYSA-N
XLogP3.27
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 53.27
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-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 21035743) is 3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1cc(Cl)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CAUXXZIXCIBWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3/c1-5(2)7-3-8(11)14-9(13-7)6(10)4-12-14/h3-5H,1-2H3.
What are the key properties of 3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 274.55 g/mol, XLogP of 3.27, 1 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-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21035743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).