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

C8H7BrClN3 — CID 59777412

IUPAC3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C)c(Br)c2n1
InChIInChI=1S/C8H7BrClN3/c1-4-3-6(10)13-8(11-4)7(9)5(2)12-13/h3H,1-2H3
InChIKeyXMPNNZUQHXEYBR-UHFFFAOYSA-N
MW260.52 g/mol
LogP2.76
Rot. Bonds

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

3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 59777412) has the molecular formula C8H7BrClN3 and a molecular weight of 260.52 g/mol. Its IUPAC name is 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID59777412
Molecular FormulaC8H7BrClN3
Molecular Weight260.52 g/mol
Exact Mass258.95
IUPAC Name3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C)c(Br)c2n1
InChIInChI=1S/C8H7BrClN3/c1-4-3-6(10)13-8(11-4)7(9)5(2)12-13/h3H,1-2H3
InChIKeyXMPNNZUQHXEYBR-UHFFFAOYSA-N
XLogP2.76
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 52.76
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-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 59777412) is 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2nc(C)c(Br)c2n1.
What is the InChIKey of 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is XMPNNZUQHXEYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3/c1-4-3-6(10)13-8(11-4)7(9)5(2)12-13/h3H,1-2H3.
What are the key properties of 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 260.52 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 59777412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).