2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline

C12H7F3N4 — CID 170777807

IUPAC2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1cccc2ncc(-c3cn[nH]c3)nc12
InChIInChI=1S/C12H7F3N4/c13-12(14,15)8-2-1-3-9-11(8)19-10(6-16-9)7-4-17-18-5-7/h1-6H,(H,17,18)
InChIKeyJDIXXAWBTPNQHB-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.04
Rot. Bonds1

About 2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline

2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline (PubChem CID 170777807) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline
PubChem CID170777807
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1cccc2ncc(-c3cn[nH]c3)nc12
InChIInChI=1S/C12H7F3N4/c13-12(14,15)8-2-1-3-9-11(8)19-10(6-16-9)7-4-17-18-5-7/h1-6H,(H,17,18)
InChIKeyJDIXXAWBTPNQHB-UHFFFAOYSA-N
XLogP3.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-2-(1H-pyrazol-4-yl)quinoxaline
CID 163237562
5-chloro-3-(1H-pyrazol-4-yl)quinoxalin-6-ol
CID 175505273
4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine
CID 167422581
3-(1H-pyrazol-4-yl)quinoline
CID 90943604
4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole
CID 130466741
3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 134805069
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 177367973
7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 90104537
2-methyl-7-(1H-pyrazol-4-yl)-1,5-naphthyridine
CID 154938206
4-methyl-2-(1H-pyrazol-4-yl)quinoline
CID 170518667
N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine
CID 89308329

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline (CID 170777807) is 2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline is FC(F)(F)c1cccc2ncc(-c3cn[nH]c3)nc12.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline?
The InChIKey is JDIXXAWBTPNQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-12(14,15)8-2-1-3-9-11(8)19-10(6-16-9)7-4-17-18-5-7/h1-6H,(H,17,18).
What are the key properties of 2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline?
2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline has a molecular weight of 264.21 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 170777807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).