3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine

C8H7BrClN3 — CID 84710228

IUPAC3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cnc2c(Br)c(Cl)nn2c1
InChIInChI=1S/C8H7BrClN3/c1-2-5-3-11-8-6(9)7(10)12-13(8)4-5/h3-4H,2H2,1H3
InChIKeyIWIYHILIMYZQRY-UHFFFAOYSA-N
MW260.52 g/mol
LogP2.71
Rot. Bonds1

About 3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine

3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine (PubChem CID 84710228) has the molecular formula C8H7BrClN3 and a molecular weight of 260.52 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine
PubChem CID84710228
Molecular FormulaC8H7BrClN3
Molecular Weight260.52 g/mol
Exact Mass258.95
IUPAC Name3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cnc2c(Br)c(Cl)nn2c1
InChIInChI=1S/C8H7BrClN3/c1-2-5-3-11-8-6(9)7(10)12-13(8)4-5/h3-4H,2H2,1H3
InChIKeyIWIYHILIMYZQRY-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

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Related Compounds

3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine
CID 83669783
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 83920294
2-(6-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-2-amine
CID 84778565
2-chloro-5-ethylpyrimidine
CID 3572763
ethyl 3-bromo-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131389867
ethane;6-ethyl-2-fluoropyrazolo[1,5-a]pyrimidine
CID 163226180
ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 118679621
2,3-dichloro-5-ethylpyridine
CID 20678674
N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 104621807
(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 104621808
3-bromo-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine
CID 130739835

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine (CID 84710228) is 3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine is CCc1cnc2c(Br)c(Cl)nn2c1.
What is the InChIKey of 3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is IWIYHILIMYZQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3/c1-2-5-3-11-8-6(9)7(10)12-13(8)4-5/h3-4H,2H2,1H3.
What are the key properties of 3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine?
3-bromo-2-chloro-6-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-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 84710228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).