5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine

C13H10F3N5 — CID 67411417

IUPAC5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine
SMILESCc1nc2ccc(C(F)(F)F)cc2nc1-c1cc(N)n[nH]1
InChIInChI=1S/C13H10F3N5/c1-6-12(10-5-11(17)21-20-10)19-9-4-7(13(14,15)16)2-3-8(9)18-6/h2-5H,1H3,(H3,17,20,21)
InChIKeyPXFKLRPQBSROTC-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.93
Rot. Bonds1

About 5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine

5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine (PubChem CID 67411417) has the molecular formula C13H10F3N5 and a molecular weight of 293.25 g/mol. Its IUPAC name is 5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine
PubChem CID67411417
Molecular FormulaC13H10F3N5
Molecular Weight293.25 g/mol
Exact Mass293.09
IUPAC Name5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine
SMILESCc1nc2ccc(C(F)(F)F)cc2nc1-c1cc(N)n[nH]1
InChIInChI=1S/C13H10F3N5/c1-6-12(10-5-11(17)21-20-10)19-9-4-7(13(14,15)16)2-3-8(9)18-6/h2-5H,1H3,(H3,17,20,21)
InChIKeyPXFKLRPQBSROTC-UHFFFAOYSA-N
XLogP2.93
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Trifluoromethyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinoxalin-3-imine
CID 394342
3-Amino-6-methyl-1H-pyrazolo[3,4-b]quinoxaline
CID 395809
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 5301577
2-Butyl-8-methylpyrazolo[1,5-a]quinoxalin-4-amine
CID 155535320
3-(7-fluoro-3-methylquinoxalin-2-yl)-1H-pyrazol-5-amine
CID 67410780
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)quinoxalin-2-amine
CID 1511409
Phenyl pyrazolopyridinamine
CID 70038664
3-[(E)-2-(3-fluorophenyl)ethenyl]-5-isocyano-1H-pyrazolo[4,3-b]pyridine
CID 59797274
5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine
CID 67409691
5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine
CID 67409709
5-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 68349851
3-[2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-amine
CID 68926739

Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine (CID 67411417) is 5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine is Cc1nc2ccc(C(F)(F)F)cc2nc1-c1cc(N)n[nH]1.
What is the InChIKey of 5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine?
The InChIKey is PXFKLRPQBSROTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5/c1-6-12(10-5-11(17)21-20-10)19-9-4-7(13(14,15)16)2-3-8(9)18-6/h2-5H,1H3,(H3,17,20,21).
What are the key properties of 5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine?
5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine has a molecular weight of 293.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 67411417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).