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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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).