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

C8H7BrClN3 — CID 21066428

IUPAC3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C8H7BrClN3/c1-2-5-3-7(10)13-8(12-5)6(9)4-11-13/h3-4H,2H2,1H3
InChIKeyNSVIAAZEZAAQFC-UHFFFAOYSA-N
MW260.52 g/mol
LogP2.71
Rot. Bonds1

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

3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine (PubChem CID 21066428) has the molecular formula C8H7BrClN3 and a molecular weight of 260.52 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine
PubChem CID21066428
Molecular FormulaC8H7BrClN3
Molecular Weight260.52 g/mol
Exact Mass258.95
IUPAC Name3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C8H7BrClN3/c1-2-5-3-7(10)13-8(12-5)6(9)4-11-13/h3-4H,2H2,1H3
InChIKeyNSVIAAZEZAAQFC-UHFFFAOYSA-N
XLogP2.71
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-7-chloro-5-ethylpyrazolo[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

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
3-Bromo-5,7-dimethylpyrazolo(1,5-a)pyrimidine
CID 198235
Pyrazolo(1,5-a)pyrimidine, 3-chloro-5,7-dimethyl-
CID 206163
3-Bromo-7-ethyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 20324960
3-Bromo-5-methyl-7-propylpyrazolo[1,5-a]pyrimidine
CID 20324962
3-Bromo-5,7-diethylpyrazolo[1,5-a]pyrimidine
CID 20324963
3-Bromo-5,7-di-n-butylpyrazolo[1,5-a]pyrimidine
CID 20324952
7-Chloro-5-methylpyrazolo[1,5-a]pyrimidine
CID 10487287
7-Chloro-3,5-dimethylpyrazolo(1,5-a)pyrimidine
CID 10487659
3-Bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
CID 12281649
7-Chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16768222
3-Bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 59777412

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine (CID 21066428) is 3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine is CCc1cc(Cl)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NSVIAAZEZAAQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3/c1-2-5-3-7(10)13-8(12-5)6(9)4-11-13/h3-4H,2H2,1H3.
What are the key properties of 3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 260.52 g/mol, XLogP of 2.71, 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-ethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21066428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).