2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline

C18H11F3N4O — CID 4073917

IUPAC2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline
SMILESFC(F)(F)Oc1ccc(-n2cc(-c3cnc4ccccc4n3)cn2)cc1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)26-14-7-5-13(6-8-14)25-11-12(9-23-25)17-10-22-15-3-1-2-4-16(15)24-17/h1-11H
InChIKeySTLAEWGVQIFCGR-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.38
Rot. Bonds3

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

2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline (PubChem CID 4073917) has the molecular formula C18H11F3N4O and a molecular weight of 356.31 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline
PubChem CID4073917
Molecular FormulaC18H11F3N4O
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline
SMILESFC(F)(F)Oc1ccc(-n2cc(-c3cnc4ccccc4n3)cn2)cc1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)26-14-7-5-13(6-8-14)25-11-12(9-23-25)17-10-22-15-3-1-2-4-16(15)24-17/h1-11H
InChIKeySTLAEWGVQIFCGR-UHFFFAOYSA-N
XLogP4.38
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline
CID 3447283
4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 3676782
[4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate
CID 67562719
2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline
CID 2246096
1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 142602260
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol
CID 169092645
N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide
CID 142256171
5-(4-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine
CID 155586796
3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 176921516
2-[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]quinoxaline
CID 170778013
2-[1-[(2R,6S)-2,6-dimethylpiperidin-4-yl]pyrazol-4-yl]quinoxaline
CID 170778330

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline?
The IUPAC name of 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline (CID 4073917) is 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline.
What is the SMILES notation for 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline?
The canonical SMILES for 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline is FC(F)(F)Oc1ccc(-n2cc(-c3cnc4ccccc4n3)cn2)cc1.
What is the InChIKey of 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline?
The InChIKey is STLAEWGVQIFCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O/c19-18(20,21)26-14-7-5-13(6-8-14)25-11-12(9-23-25)17-10-22-15-3-1-2-4-16(15)24-17/h1-11H.
What are the key properties of 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline?
2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline has a molecular weight of 356.31 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]quinoxaline is sourced from PubChem (CID 4073917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).