7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline

C16H9F3N4 — CID 18999893

IUPAC7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline
SMILESFC(F)(F)c1cccc(-c2cnc3cc4cn[nH]c4cc3n2)c1
InChIInChI=1S/C16H9F3N4/c17-16(18,19)11-3-1-2-9(4-11)15-8-20-13-5-10-7-21-23-12(10)6-14(13)22-15/h1-8H,(H,21,23)
InChIKeyNCXVACFJHOWJNH-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.19
Rot. Bonds1

About 7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline

7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline (PubChem CID 18999893) has the molecular formula C16H9F3N4 and a molecular weight of 314.27 g/mol. Its IUPAC name is 7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline.

Molecular Properties

Compound Name7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline
PubChem CID18999893
Molecular FormulaC16H9F3N4
Molecular Weight314.27 g/mol
Exact Mass314.08
IUPAC Name7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline
SMILESFC(F)(F)c1cccc(-c2cnc3cc4cn[nH]c4cc3n2)c1
InChIInChI=1S/C16H9F3N4/c17-16(18,19)11-3-1-2-9(4-11)15-8-20-13-5-10-7-21-23-12(10)6-14(13)22-15/h1-8H,(H,21,23)
InChIKeyNCXVACFJHOWJNH-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline?
The IUPAC name of 7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline (CID 18999893) is 7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline.
What is the SMILES notation for 7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline?
The canonical SMILES for 7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline is FC(F)(F)c1cccc(-c2cnc3cc4cn[nH]c4cc3n2)c1.
What is the InChIKey of 7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline?
The InChIKey is NCXVACFJHOWJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4/c17-16(18,19)11-3-1-2-9(4-11)15-8-20-13-5-10-7-21-23-12(10)6-14(13)22-15/h1-8H,(H,21,23).
What are the key properties of 7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline?
7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline has a molecular weight of 314.27 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 18999893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).