2-bromo-4-chloropyrazolo[1,5-a]pyrazine

C6H3BrClN3 — CID 164512828

IUPAC2-bromo-4-chloropyrazolo[1,5-a]pyrazine
SMILESClc1nccn2nc(Br)cc12
InChIInChI=1S/C6H3BrClN3/c7-5-3-4-6(8)9-1-2-11(4)10-5/h1-3H
InChIKeyDLZQDPKTLJAJMF-UHFFFAOYSA-N
MW232.47 g/mol
LogP2.15
Rot. Bonds

About 2-bromo-4-chloropyrazolo[1,5-a]pyrazine

2-bromo-4-chloropyrazolo[1,5-a]pyrazine (PubChem CID 164512828) has the molecular formula C6H3BrClN3 and a molecular weight of 232.47 g/mol. Its IUPAC name is 2-bromo-4-chloropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-bromo-4-chloropyrazolo[1,5-a]pyrazine
PubChem CID164512828
Molecular FormulaC6H3BrClN3
Molecular Weight232.47 g/mol
Exact Mass230.92
IUPAC Name2-bromo-4-chloropyrazolo[1,5-a]pyrazine
SMILESClc1nccn2nc(Br)cc12
InChIInChI=1S/C6H3BrClN3/c7-5-3-4-6(8)9-1-2-11(4)10-5/h1-3H
InChIKeyDLZQDPKTLJAJMF-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

4-Bromopyrazolo[1,5-a]pyrazine
CID 55273440
4-Chloropyrazolo[1,5-a]pyrazine
CID 72213177
3-Bromopyrazolo[1,5-a]pyrazine
CID 67123766
4-Chloro-6-methylpyrazolo[1,5-a]pyrazine
CID 137965858
4-Chloro-3-iodopyrazolo(1,5-a)pyrazine
CID 145913471
2-Bromo-4-chloro-3-iodopyrazolo[1,5-a]pyrazine
CID 165980977
3-Bromo-4-chloropyrazolo[1,5-a]pyrazine
CID 132398777
4-Chloro-3-methylpyrazolo(1,5-a)pyrazine
CID 138991397
3-Bromo-4-chloro-7-iodopyrazolo(1,5-a)pyrazine
CID 155822035
3-Bromo-4-chloro-6-methylpyrazolo[1,5-a]pyrazine
CID 177799120
2,4-Dichloro-3-fluoropyrazolo[1,5-a]pyrazine
CID 163301766
4,6-Dichloro-3-fluoropyrazolo[1,5-a]pyrazine
CID 163302223

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-bromo-4-chloropyrazolo[1,5-a]pyrazine (CID 164512828) is 2-bromo-4-chloropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-bromo-4-chloropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-bromo-4-chloropyrazolo[1,5-a]pyrazine is Clc1nccn2nc(Br)cc12.
What is the InChIKey of 2-bromo-4-chloropyrazolo[1,5-a]pyrazine?
The InChIKey is DLZQDPKTLJAJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClN3/c7-5-3-4-6(8)9-1-2-11(4)10-5/h1-3H.
What are the key properties of 2-bromo-4-chloropyrazolo[1,5-a]pyrazine?
2-bromo-4-chloropyrazolo[1,5-a]pyrazine 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 2-bromo-4-chloropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 164512828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).