3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine

C8H7BrClN3 — CID 130739835

IUPAC3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine
SMILESClCCc1cnc2c(Br)cnn2c1
InChIInChI=1S/C8H7BrClN3/c9-7-4-12-13-5-6(1-2-10)3-11-8(7)13/h3-5H,1-2H2
InChIKeyTVSHVBLMGFEQSC-UHFFFAOYSA-N
MW260.52 g/mol
LogP2.27
Rot. Bonds2

About 3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine

3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 130739835) has the molecular formula C8H7BrClN3 and a molecular weight of 260.52 g/mol. Its IUPAC name is 3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID130739835
Molecular FormulaC8H7BrClN3
Molecular Weight260.52 g/mol
Exact Mass258.95
IUPAC Name3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine
SMILESClCCc1cnc2c(Br)cnn2c1
InChIInChI=1S/C8H7BrClN3/c9-7-4-12-13-5-6(1-2-10)3-11-8(7)13/h3-5H,1-2H2
InChIKeyTVSHVBLMGFEQSC-UHFFFAOYSA-N
XLogP2.27
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-bromo-6-(2-chloroethyl)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

Related Compounds

2-bromo-5-(2-chloroethyl)pyridine
CID 130116129
4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline
CID 71743370
6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 58056251
3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 130214283
3-bromo-6-[4-(2-piperidin-1-ylethyl)phenyl]pyrazolo[1,5-a]pyrimidine;3-phenyl-6-[4-(2-piperidin-1-ylethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 158044709
3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine
CID 84710228
6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 114514794
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 118665090
6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70706183
1-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 122096792
4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 52944688

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine (CID 130739835) is 3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine is ClCCc1cnc2c(Br)cnn2c1.
What is the InChIKey of 3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is TVSHVBLMGFEQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3/c9-7-4-12-13-5-6(1-2-10)3-11-8(7)13/h3-5H,1-2H2.
What are the key properties of 3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 260.52 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 130739835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).