2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline

C18H14N4 — CID 3447283

IUPAC2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline
SMILESCc1ccc(-n2cc(-c3cnc4ccccc4n3)cn2)cc1
InChIInChI=1S/C18H14N4/c1-13-6-8-15(9-7-13)22-12-14(10-20-22)18-11-19-16-4-2-3-5-17(16)21-18/h2-12H,1H3
InChIKeyFCJHQOWQWBZWDD-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.79
Rot. Bonds2

About 2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline

2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline (PubChem CID 3447283) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline
PubChem CID3447283
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline
SMILESCc1ccc(-n2cc(-c3cnc4ccccc4n3)cn2)cc1
InChIInChI=1S/C18H14N4/c1-13-6-8-15(9-7-13)22-12-14(10-20-22)18-11-19-16-4-2-3-5-17(16)21-18/h2-12H,1H3
InChIKeyFCJHQOWQWBZWDD-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline?
The IUPAC name of 2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline (CID 3447283) is 2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline.
What is the SMILES notation for 2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline?
The canonical SMILES for 2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline is Cc1ccc(-n2cc(-c3cnc4ccccc4n3)cn2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline?
The InChIKey is FCJHQOWQWBZWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-13-6-8-15(9-7-13)22-12-14(10-20-22)18-11-19-16-4-2-3-5-17(16)21-18/h2-12H,1H3.
What are the key properties of 2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline?
2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline has a molecular weight of 286.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline is sourced from PubChem (CID 3447283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).