3-bromo-5-chloropyrazolo[1,5-a]pyrimidine

C6H3BrClN3 — CID 45480507

IUPAC3-bromo-5-chloropyrazolo[1,5-a]pyrimidine
SMILESClc1ccn2ncc(Br)c2n1
InChIInChI=1S/C6H3BrClN3/c7-4-3-9-11-2-1-5(8)10-6(4)11/h1-3H
InChIKeyIYSBSUPWYUVHKG-UHFFFAOYSA-N
MW232.47 g/mol
LogP2.15
Rot. Bonds

About 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine

3-bromo-5-chloropyrazolo[1,5-a]pyrimidine (PubChem CID 45480507) has the molecular formula C6H3BrClN3 and a molecular weight of 232.47 g/mol. Its IUPAC name is 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-5-chloropyrazolo[1,5-a]pyrimidine
PubChem CID45480507
Molecular FormulaC6H3BrClN3
Molecular Weight232.47 g/mol
Exact Mass230.92
IUPAC Name3-bromo-5-chloropyrazolo[1,5-a]pyrimidine
SMILESClc1ccn2ncc(Br)c2n1
InChIInChI=1S/C6H3BrClN3/c7-4-3-9-11-2-1-5(8)10-6(4)11/h1-3H
InChIKeyIYSBSUPWYUVHKG-UHFFFAOYSA-N
XLogP2.15
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo(1,5-a)pyrimidine
CID 11636795
1,2,4-Triazolo(1,5-c)pyrimidine
CID 12318765
5,7-Dichloropyrazolo[1,5-a]pyrimidine
CID 11074154
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
7-Chloropyrazolo[1,5-a]pyrimidine
CID 12281647
7-Aminopyrazolo(1,5-a)pyrimidine
CID 15379137
5-Chloropyrazolo(1,5-a)pyrimidine
CID 21071759
Pyrazolo(1,5-a)(1,3,5)triazine
CID 21948548
Pyrazolo[1,5-a]pyrimidin-5-amine
CID 55285819
6-Methylpyrazolo[1,5-a]pyrimidine
CID 12773553
4-Chloro-6-(1H-pyrazol-1-yl)pyrimidine
CID 10631239
5-Chloro-[1,2,4]triazolo[1,5-c]pyrimidine
CID 12603817

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine (CID 45480507) is 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine is Clc1ccn2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine?
The InChIKey is IYSBSUPWYUVHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClN3/c7-4-3-9-11-2-1-5(8)10-6(4)11/h1-3H.
What are the key properties of 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine?
3-bromo-5-chloropyrazolo[1,5-a]pyrimidine has a molecular weight of 232.47 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 45480507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).