3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine

C13H15BrClN3 — CID 21066425

IUPAC3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine
SMILESCC1CCCCC1c1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C13H15BrClN3/c1-8-4-2-3-5-9(8)11-6-12(15)18-13(17-11)10(14)7-16-18/h6-9H,2-5H2,1H3
InChIKeyJJVZSAWUIXVIAU-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.44
Rot. Bonds1

About 3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine

3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 21066425) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine
PubChem CID21066425
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine
SMILESCC1CCCCC1c1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C13H15BrClN3/c1-8-4-2-3-5-9(8)11-6-12(15)18-13(17-11)10(14)7-16-18/h6-9H,2-5H2,1H3
InChIKeyJJVZSAWUIXVIAU-UHFFFAOYSA-N
XLogP4.44
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[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-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine (CID 21066425) is 3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine is CC1CCCCC1c1cc(Cl)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is JJVZSAWUIXVIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-8-4-2-3-5-9(8)11-6-12(15)18-13(17-11)10(14)7-16-18/h6-9H,2-5H2,1H3.
What are the key properties of 3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 328.64 g/mol, XLogP of 4.44, 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-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21066425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).