2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline

C20H16N4 — CID 28666339

IUPAC2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline
SMILESC=CCn1ccc(-c2cccc(-c3cnc4ccccc4n3)c2)n1
InChIInChI=1S/C20H16N4/c1-2-11-24-12-10-17(23-24)15-6-5-7-16(13-15)20-14-21-18-8-3-4-9-19(18)22-20/h2-10,12-14H,1,11H2
InChIKeyWEHGSXLOLSFKFK-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.35
Rot. Bonds4

About 2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline

2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline (PubChem CID 28666339) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline.

Molecular Properties

Compound Name2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline
PubChem CID28666339
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline
SMILESC=CCn1ccc(-c2cccc(-c3cnc4ccccc4n3)c2)n1
InChIInChI=1S/C20H16N4/c1-2-11-24-12-10-17(23-24)15-6-5-7-16(13-15)20-14-21-18-8-3-4-9-19(18)22-20/h2-10,12-14H,1,11H2
InChIKeyWEHGSXLOLSFKFK-UHFFFAOYSA-N
XLogP4.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[3-[1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]phenyl]quinoxaline
CID 45190541
2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
CID 161236708
(3-quinoxalin-2-ylphenyl)methanamine
CID 174907322
2-[[3-(3-pyrazin-2-ylphenyl)pyrazol-1-yl]methyl]-1,3-benzothiazole
CID 29254823
2-(3-pyrrolidin-1-ylphenyl)quinoxaline
CID 168513067
5-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridin-2-amine
CID 168965374
N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline
CID 134593476
2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine
CID 29257494
2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline
CID 138808875
N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride
CID 73427550
2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline
CID 634917
CID 88913467
CID 88913467

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline?
The IUPAC name of 2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline (CID 28666339) is 2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline.
What is the SMILES notation for 2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline?
The canonical SMILES for 2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline is C=CCn1ccc(-c2cccc(-c3cnc4ccccc4n3)c2)n1.
What is the InChIKey of 2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline?
The InChIKey is WEHGSXLOLSFKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-2-11-24-12-10-17(23-24)15-6-5-7-16(13-15)20-14-21-18-8-3-4-9-19(18)22-20/h2-10,12-14H,1,11H2.
What are the key properties of 2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline?
2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline has a molecular weight of 312.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-prop-2-enylpyrazol-3-yl)phenyl]quinoxaline is sourced from PubChem (CID 28666339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).