3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine

C20H16F3N5 — CID 5301577

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine
SMILESCc1cc(C)n(-c2nc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H16F3N5/c1-12-10-13(2)28(27-12)19-18(25-16-8-3-4-9-17(16)26-19)24-15-7-5-6-14(11-15)20(21,22)23/h3-11H,1-2H3,(H,24,25)
InChIKeyVJVOHEZCZHJNPT-UHFFFAOYSA-N
MW383.38 g/mol
LogP5.19
Rot. Bonds3

About 3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine

3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine (PubChem CID 5301577) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine
PubChem CID5301577
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine
SMILESCc1cc(C)n(-c2nc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H16F3N5/c1-12-10-13(2)28(27-12)19-18(25-16-8-3-4-9-17(16)26-19)24-15-7-5-6-14(11-15)20(21,22)23/h3-11H,1-2H3,(H,24,25)
InChIKeyVJVOHEZCZHJNPT-UHFFFAOYSA-N
XLogP5.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.38
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)quinoxalin-2-amine
CID 1872273
2,3-Quinoxalinediamine, N,N'-bis[3-(trifluoromethyl)phenyl]-
CID 468692
1-methyl-3-phenyl-1H-pyrazolo[3,4-b]quinoxaline
CID 664134
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-8-quinolinyl]methanesulfonamide
CID 885036
N4-(5-methyl-1H-pyrazol-3-yl)-N2-phenylquinazoline-2,4-diamine
CID 10267834
N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine
CID 68309298
N2,N3-bis[3,5-bis(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 468693
(3-Chloro-quinoxalin-2-yl)-(5-methyl-2-o-tolyl-2H-pyrazol-3-yl)-amine
CID 931566
N-(3-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine
CID 1091861
2-N,3-N-bis(4-methylphenyl)pyrazino[2,3-d]pyridazine-2,3,5,8-tetramine
CID 1185324
5-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-2-quinoxalinyl]amino}-1,3-dihydro-2H-benzimidazol-2-one
CID 1253520
1-(4-Methylphenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 3310540

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine (CID 5301577) is 3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine is Cc1cc(C)n(-c2nc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The InChIKey is VJVOHEZCZHJNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5/c1-12-10-13(2)28(27-12)19-18(25-16-8-3-4-9-17(16)26-19)24-15-7-5-6-14(11-15)20(21,22)23/h3-11H,1-2H3,(H,24,25).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine has a molecular weight of 383.38 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine is sourced from PubChem (CID 5301577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).