3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate

C13H11N4O- — CID 22090511

IUPAC3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate
SMILESCc1cc(C)n(-c2nc3ccccc3nc2[O-])n1
InChIInChI=1S/C13H12N4O/c1-8-7-9(2)17(16-8)12-13(18)15-11-6-4-3-5-10(11)14-12/h3-7H,1-2H3,(H,15,18)/p-1
InChIKeyFYRXDCPWUYWHTF-UHFFFAOYSA-M
MW239.26 g/mol
LogP1.51
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate

3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate (PubChem CID 22090511) has the molecular formula C13H11N4O- and a molecular weight of 239.26 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate
PubChem CID22090511
Molecular FormulaC13H11N4O-
Molecular Weight239.26 g/mol
Exact Mass239.09
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate
SMILESCc1cc(C)n(-c2nc3ccccc3nc2[O-])n1
InChIInChI=1S/C13H12N4O/c1-8-7-9(2)17(16-8)12-13(18)15-11-6-4-3-5-10(11)14-12/h3-7H,1-2H3,(H,15,18)/p-1
InChIKeyFYRXDCPWUYWHTF-UHFFFAOYSA-M
XLogP1.51
TPSA66.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate (CID 22090511) is 3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate is Cc1cc(C)n(-c2nc3ccccc3nc2[O-])n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate?
The InChIKey is FYRXDCPWUYWHTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N4O/c1-8-7-9(2)17(16-8)12-13(18)15-11-6-4-3-5-10(11)14-12/h3-7H,1-2H3,(H,15,18)/p-1.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate?
3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate has a molecular weight of 239.26 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate is sourced from PubChem (CID 22090511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).