2-(4-bromopyrazol-1-yl)-5-chloropyrazine

C7H4BrClN4 — CID 118625836

IUPAC2-(4-bromopyrazol-1-yl)-5-chloropyrazine
SMILESClc1cnc(-n2cc(Br)cn2)cn1
InChIInChI=1S/C7H4BrClN4/c8-5-1-12-13(4-5)7-3-10-6(9)2-11-7/h1-4H
InChIKeyNWDIFGCFFYCDTL-UHFFFAOYSA-N
MW259.49 g/mol
LogP2.08
Rot. Bonds1

About 2-(4-bromopyrazol-1-yl)-5-chloropyrazine

2-(4-bromopyrazol-1-yl)-5-chloropyrazine (PubChem CID 118625836) has the molecular formula C7H4BrClN4 and a molecular weight of 259.49 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-5-chloropyrazine.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-5-chloropyrazine
PubChem CID118625836
Molecular FormulaC7H4BrClN4
Molecular Weight259.49 g/mol
Exact Mass257.93
IUPAC Name2-(4-bromopyrazol-1-yl)-5-chloropyrazine
SMILESClc1cnc(-n2cc(Br)cn2)cn1
InChIInChI=1S/C7H4BrClN4/c8-5-1-12-13(4-5)7-3-10-6(9)2-11-7/h1-4H
InChIKeyNWDIFGCFFYCDTL-UHFFFAOYSA-N
XLogP2.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.49
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(1H-pyrazol-1-yl)pyrazin-2-amine
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2-(1H-pyrazol-1-yl)pyrazine
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4-(4-bromo-1H-pyrazol-1-yl)pyrimidine
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3-(4-bromo-1H-pyrazol-1-yl)-2,5-dimethylpyrazine
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2-Azido-3-pyrazol-1-ylpyrazine
CID 126484510
2-Fluoro-3-pyrazol-1-ylpyrazine
CID 140316737
2,6-Bis(4-chloropyrazol-1-yl)pyrazine
CID 102400986
2-Chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrazine
CID 64177101
2-Chloro-3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazine
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CID 130571038

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-5-chloropyrazine?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-5-chloropyrazine (CID 118625836) is 2-(4-bromopyrazol-1-yl)-5-chloropyrazine.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-5-chloropyrazine?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-5-chloropyrazine is Clc1cnc(-n2cc(Br)cn2)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-5-chloropyrazine?
The InChIKey is NWDIFGCFFYCDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN4/c8-5-1-12-13(4-5)7-3-10-6(9)2-11-7/h1-4H.
What are the key properties of 2-(4-bromopyrazol-1-yl)-5-chloropyrazine?
2-(4-bromopyrazol-1-yl)-5-chloropyrazine has a molecular weight of 259.49 g/mol, XLogP of 2.08, 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)-5-chloropyrazine is sourced from PubChem (CID 118625836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).