2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline

C16H18N4 — CID 82698966

IUPAC2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline
SMILESCCc1cc(CC)n(-c2nc3ccccc3nc2C)n1
InChIInChI=1S/C16H18N4/c1-4-12-10-13(5-2)20(19-12)16-11(3)17-14-8-6-7-9-15(14)18-16/h6-10H,4-5H2,1-3H3
InChIKeySISMYHJHNSXNDF-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.25
Rot. Bonds3

About 2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline

2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline (PubChem CID 82698966) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline
PubChem CID82698966
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline
SMILESCCc1cc(CC)n(-c2nc3ccccc3nc2C)n1
InChIInChI=1S/C16H18N4/c1-4-12-10-13(5-2)20(19-12)16-11(3)17-14-8-6-7-9-15(14)18-16/h6-10H,4-5H2,1-3H3
InChIKeySISMYHJHNSXNDF-UHFFFAOYSA-N
XLogP3.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline (CID 82698966) is 2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline is CCc1cc(CC)n(-c2nc3ccccc3nc2C)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline?
The InChIKey is SISMYHJHNSXNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-4-12-10-13(5-2)20(19-12)16-11(3)17-14-8-6-7-9-15(14)18-16/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline?
2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline has a molecular weight of 266.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline is sourced from PubChem (CID 82698966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).