3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one

C17H12N4O — CID 135585445

IUPAC3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H12N4O/c22-17-16(18-12-8-4-5-9-13(12)19-17)15-10-14(20-21-15)11-6-2-1-3-7-11/h1-10H,(H,19,22)(H,20,21)
InChIKeyWOMNEKMXPIRIAA-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.98
Rot. Bonds2

About 3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one

3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one (PubChem CID 135585445) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one
PubChem CID135585445
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H12N4O/c22-17-16(18-12-8-4-5-9-13(12)19-17)15-10-14(20-21-15)11-6-2-1-3-7-11/h1-10H,(H,19,22)(H,20,21)
InChIKeyWOMNEKMXPIRIAA-UHFFFAOYSA-N
XLogP2.98
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one (CID 135585445) is 3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1-c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one?
The InChIKey is WOMNEKMXPIRIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c22-17-16(18-12-8-4-5-9-13(12)19-17)15-10-14(20-21-15)11-6-2-1-3-7-11/h1-10H,(H,19,22)(H,20,21).
What are the key properties of 3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one?
3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one has a molecular weight of 288.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 135585445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).