3-bromo-6-methylpyrazolo[1,5-a]pyrimidine

C7H6BrN3 — CID 18732329

IUPAC3-bromo-6-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnc2c(Br)cnn2c1
InChIInChI=1S/C7H6BrN3/c1-5-2-9-7-6(8)3-10-11(7)4-5/h2-4H,1H3
InChIKeyIRBYARMSVILOKF-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.80
Rot. Bonds

About 3-bromo-6-methylpyrazolo[1,5-a]pyrimidine

3-bromo-6-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 18732329) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 3-bromo-6-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-6-methylpyrazolo[1,5-a]pyrimidine
PubChem CID18732329
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name3-bromo-6-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnc2c(Br)cnn2c1
InChIInChI=1S/C7H6BrN3/c1-5-2-9-7-6(8)3-10-11(7)4-5/h2-4H,1H3
InChIKeyIRBYARMSVILOKF-UHFFFAOYSA-N
XLogP1.80
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-6-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-6-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-6-methylpyrazolo[1,5-a]pyrimidine (CID 18732329) is 3-bromo-6-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-6-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-6-methylpyrazolo[1,5-a]pyrimidine is Cc1cnc2c(Br)cnn2c1.
What is the InChIKey of 3-bromo-6-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is IRBYARMSVILOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c1-5-2-9-7-6(8)3-10-11(7)4-5/h2-4H,1H3.
What are the key properties of 3-bromo-6-methylpyrazolo[1,5-a]pyrimidine?
3-bromo-6-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 212.05 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 18732329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).