3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine

C10H11BrClN3 — CID 21066432

IUPAC3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine
SMILESCCC(C)c1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C10H11BrClN3/c1-3-6(2)8-4-9(12)15-10(14-8)7(11)5-13-15/h4-6H,3H2,1-2H3
InChIKeyVOEDPMMRCZCPHA-UHFFFAOYSA-N
MW288.58 g/mol
LogP3.66
Rot. Bonds2

About 3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine

3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine (PubChem CID 21066432) has the molecular formula C10H11BrClN3 and a molecular weight of 288.58 g/mol. Its IUPAC name is 3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine
PubChem CID21066432
Molecular FormulaC10H11BrClN3
Molecular Weight288.58 g/mol
Exact Mass286.98
IUPAC Name3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine
SMILESCCC(C)c1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C10H11BrClN3/c1-3-6(2)8-4-9(12)15-10(14-8)7(11)5-13-15/h4-6H,3H2,1-2H3
InChIKeyVOEDPMMRCZCPHA-UHFFFAOYSA-N
XLogP3.66
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.58
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine (CID 21066432) is 3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine is CCC(C)c1cc(Cl)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine?
The InChIKey is VOEDPMMRCZCPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3/c1-3-6(2)8-4-9(12)15-10(14-8)7(11)5-13-15/h4-6H,3H2,1-2H3.
What are the key properties of 3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine?
3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine has a molecular weight of 288.58 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-butan-2-yl-7-chloropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21066432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).