3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine

C9H9BrN4 — CID 65417776

IUPAC3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(-n2cc(Br)cn2)n1
InChIInChI=1S/C9H9BrN4/c1-6-3-11-7(2)9(13-6)14-5-8(10)4-12-14/h3-5H,1-2H3
InChIKeyJWFHLIKOHGCSLU-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.04
Rot. Bonds1

About 3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine

3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine (PubChem CID 65417776) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine
PubChem CID65417776
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(-n2cc(Br)cn2)n1
InChIInChI=1S/C9H9BrN4/c1-6-3-11-7(2)9(13-6)14-5-8(10)4-12-14/h3-5H,1-2H3
InChIKeyJWFHLIKOHGCSLU-UHFFFAOYSA-N
XLogP2.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Bis(1-pyrazolyl)pyrazine
CID 1487780
2-(4-bromo-1H-pyrazol-1-yl)pyrazine
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CID 102988504
2-(4-bromo-1H-pyrazol-1-yl)-5-chloropyrazine
CID 118625836
8-Bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine
CID 13011565
2-(1H-pyrazol-1-yl)pyrazine
CID 14387154
2-Azido-3-pyrazol-1-ylpyrazine
CID 126484510
5-[4-(4-Bromopyrazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 121532723
3-[[(1-isopropyl-1H-pyrazol-4-yl)methyl](methyl)amino]pyrazine-2-carbonitrile
CID 129624146
6-(4-bromo-1H-pyrazol-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 137966137
[5-(4-Fluoropyrazol-1-yl)pyrazin-2-yl]methanamine
CID 122445414
5-(4-Fluoro-1H-pyrazol-1-yl)pyrazine-2-carbonitrile
CID 122445419

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine (CID 65417776) is 3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine is Cc1cnc(C)c(-n2cc(Br)cn2)n1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine?
The InChIKey is JWFHLIKOHGCSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c1-6-3-11-7(2)9(13-6)14-5-8(10)4-12-14/h3-5H,1-2H3.
What are the key properties of 3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine?
3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine has a molecular weight of 253.10 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine is sourced from PubChem (CID 65417776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).