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

C12H8F3N5 — CID 67409691

IUPAC5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc3ccccc3nc2C(F)(F)F)[nH]n1
InChIInChI=1S/C12H8F3N5/c13-12(14,15)11-10(8-5-9(16)20-19-8)17-6-3-1-2-4-7(6)18-11/h1-5H,(H3,16,19,20)
InChIKeyNXCJHXDDAXILGH-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.62
Rot. Bonds1

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

5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine (PubChem CID 67409691) has the molecular formula C12H8F3N5 and a molecular weight of 279.22 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine
PubChem CID67409691
Molecular FormulaC12H8F3N5
Molecular Weight279.22 g/mol
Exact Mass279.07
IUPAC Name5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc3ccccc3nc2C(F)(F)F)[nH]n1
InChIInChI=1S/C12H8F3N5/c13-12(14,15)11-10(8-5-9(16)20-19-8)17-6-3-1-2-4-7(6)18-11/h1-5H,(H3,16,19,20)
InChIKeyNXCJHXDDAXILGH-UHFFFAOYSA-N
XLogP2.62
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine (CID 67409691) is 5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine is Nc1cc(-c2nc3ccccc3nc2C(F)(F)F)[nH]n1.
What is the InChIKey of 5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine?
The InChIKey is NXCJHXDDAXILGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5/c13-12(14,15)11-10(8-5-9(16)20-19-8)17-6-3-1-2-4-7(6)18-11/h1-5H,(H3,16,19,20).
What are the key properties of 5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine?
5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine has a molecular weight of 279.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 67409691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).