3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine

C9H10BrN3 — CID 71055249

IUPAC3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(C)n2ncc(Br)c2n1
InChIInChI=1S/C9H10BrN3/c1-3-7-4-6(2)13-9(12-7)8(10)5-11-13/h4-5H,3H2,1-2H3
InChIKeyFXTGHCIQQPQQBO-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.36
Rot. Bonds1

About 3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine

3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 71055249) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine
PubChem CID71055249
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(C)n2ncc(Br)c2n1
InChIInChI=1S/C9H10BrN3/c1-3-7-4-6(2)13-9(12-7)8(10)5-11-13/h4-5H,3H2,1-2H3
InChIKeyFXTGHCIQQPQQBO-UHFFFAOYSA-N
XLogP2.36
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine (CID 71055249) is 3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine is CCc1cc(C)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FXTGHCIQQPQQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-3-7-4-6(2)13-9(12-7)8(10)5-11-13/h4-5H,3H2,1-2H3.
What are the key properties of 3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine?
3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 240.10 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71055249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).