3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one

C11H8N4O — CID 14739100

IUPAC3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cn[nH]c1
InChIInChI=1S/C11H8N4O/c16-11-10(7-5-12-13-6-7)14-8-3-1-2-4-9(8)15-11/h1-6H,(H,12,13)(H,15,16)
InChIKeyYPRKBQBNWFZPBL-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.31
Rot. Bonds1

About 3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one

3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one (PubChem CID 14739100) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one
PubChem CID14739100
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cn[nH]c1
InChIInChI=1S/C11H8N4O/c16-11-10(7-5-12-13-6-7)14-8-3-1-2-4-9(8)15-11/h1-6H,(H,12,13)(H,15,16)
InChIKeyYPRKBQBNWFZPBL-UHFFFAOYSA-N
XLogP1.31
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-1H-quinoxalin-2-one
CID 11738152
3-(3-nitrophenyl)-1H-quinoxalin-2-one
CID 129286598
3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one
CID 135585445
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524
3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one
CID 2276415
N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 75454348
3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one
CID 137079359
3-phosphorosooxy-1H-quinoxalin-2-one
CID 57453617
3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one
CID 14493371
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
CID 6463853
1-(3-bromophenyl)propane-1,2-dione;3-(3-bromophenyl)-1H-quinoxalin-2-one
CID 162135553
3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one
CID 175542430

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one (CID 14739100) is 3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1-c1cn[nH]c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one?
The InChIKey is YPRKBQBNWFZPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-10(7-5-12-13-6-7)14-8-3-1-2-4-9(8)15-11/h1-6H,(H,12,13)(H,15,16).
What are the key properties of 3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one?
3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one has a molecular weight of 212.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 14739100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).