2-(4-bromopyrazol-1-yl)pyrazine

C7H5BrN4 — CID 58368869

IUPAC2-(4-bromopyrazol-1-yl)pyrazine
SMILESBrc1cnn(-c2cnccn2)c1
InChIInChI=1S/C7H5BrN4/c8-6-3-11-12(5-6)7-4-9-1-2-10-7/h1-5H
InChIKeyXRSPJACCLHAXSK-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.42
Rot. Bonds1

About 2-(4-bromopyrazol-1-yl)pyrazine

2-(4-bromopyrazol-1-yl)pyrazine (PubChem CID 58368869) has the molecular formula C7H5BrN4 and a molecular weight of 225.05 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)pyrazine
PubChem CID58368869
Molecular FormulaC7H5BrN4
Molecular Weight225.05 g/mol
Exact Mass223.97
IUPAC Name2-(4-bromopyrazol-1-yl)pyrazine
SMILESBrc1cnn(-c2cnccn2)c1
InChIInChI=1S/C7H5BrN4/c8-6-3-11-12(5-6)7-4-9-1-2-10-7/h1-5H
InChIKeyXRSPJACCLHAXSK-UHFFFAOYSA-N
XLogP1.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Bis(1-pyrazolyl)pyrazine
CID 1487780
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
5-(1H-pyrazol-1-yl)pyrimidine
CID 54593304
4-bromo-1-(pyrimidin-2-yl)-1H-pyrazol-3-amine
CID 61176054
2-chloro-6-(1H-pyrazol-1-yl)pyrazine
CID 10035227
6-Bromopyrazolo[1,5-a]pyrimidine
CID 22236701
2-(4-Bromo-1H-pyrazol-1-yl)pyrimidine
CID 45789701
3-(1H-pyrazol-1-yl)pyrazin-2-amine
CID 102988504
2-(4-bromo-1H-pyrazol-1-yl)-5-chloropyrazine
CID 118625836
5-Bromo-2-(1H-pyrazol-1-yl)pyrimidine
CID 45789783
2-(1H-pyrazol-1-yl)pyrazine
CID 14387154
4-(1H-Pyrazol-1-yl)pyrimidine
CID 14387155

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)pyrazine?
The IUPAC name of 2-(4-bromopyrazol-1-yl)pyrazine (CID 58368869) is 2-(4-bromopyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)pyrazine?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)pyrazine is Brc1cnn(-c2cnccn2)c1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)pyrazine?
The InChIKey is XRSPJACCLHAXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4/c8-6-3-11-12(5-6)7-4-9-1-2-10-7/h1-5H.
What are the key properties of 2-(4-bromopyrazol-1-yl)pyrazine?
2-(4-bromopyrazol-1-yl)pyrazine has a molecular weight of 225.05 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)pyrazine is sourced from PubChem (CID 58368869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).