2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine

C8H5BrF2N4 — CID 130571038

IUPAC2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine
SMILESFC(F)c1nccnc1-n1cc(Br)cn1
InChIInChI=1S/C8H5BrF2N4/c9-5-3-14-15(4-5)8-6(7(10)11)12-1-2-13-8/h1-4,7H
InChIKeyOPLQXLXIUHZPDN-UHFFFAOYSA-N
MW275.06 g/mol
LogP2.36
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine

2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine (PubChem CID 130571038) has the molecular formula C8H5BrF2N4 and a molecular weight of 275.06 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine
PubChem CID130571038
Molecular FormulaC8H5BrF2N4
Molecular Weight275.06 g/mol
Exact Mass273.97
IUPAC Name2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine
SMILESFC(F)c1nccnc1-n1cc(Br)cn1
InChIInChI=1S/C8H5BrF2N4/c9-5-3-14-15(4-5)8-6(7(10)11)12-1-2-13-8/h1-4,7H
InChIKeyOPLQXLXIUHZPDN-UHFFFAOYSA-N
XLogP2.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.06
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1H-pyrazol-1-yl)pyrazine
CID 58368869
2-(4-bromo-1H-pyrazol-1-yl)-5-chloropyrazine
CID 118625836
2-(1H-pyrazol-1-yl)pyrazine
CID 14387154
3-(4-bromo-1H-pyrazol-1-yl)-2,5-dimethylpyrazine
CID 65417776
2-Azido-3-pyrazol-1-ylpyrazine
CID 126484510
5-[4-(4-Bromopyrazol-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 121532723
[5-(4-Fluoropyrazol-1-yl)pyrazin-2-yl]methanamine
CID 122445414
5-(4-Fluoro-1H-pyrazol-1-yl)pyrazine-2-carbonitrile
CID 122445419
2-Ethynyl-5-(4-fluoropyrazol-1-yl)pyrazine
CID 122487501
1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-N-methylmethanimine
CID 129101749
2-Ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine
CID 130436170
2-(4-Fluoropyrazol-1-yl)-5-prop-1-ynylpyrazine
CID 130436172

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine (CID 130571038) is 2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine is FC(F)c1nccnc1-n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine?
The InChIKey is OPLQXLXIUHZPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N4/c9-5-3-14-15(4-5)8-6(7(10)11)12-1-2-13-8/h1-4,7H.
What are the key properties of 2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine?
2-(4-bromopyrazol-1-yl)-3-(difluoromethyl)pyrazine has a molecular weight of 275.06 g/mol, XLogP of 2.36, 2 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)-3-(difluoromethyl)pyrazine is sourced from PubChem (CID 130571038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).