N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine

C21H21N5 — CID 15989749

IUPACN-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
SMILESCc1cc(C)cc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)c1
InChIInChI=1S/C21H21N5/c1-13-9-14(2)11-17(10-13)22-20-21(26-16(4)12-15(3)25-26)24-19-8-6-5-7-18(19)23-20/h5-12H,1-4H3,(H,22,23)
InChIKeyJEPLLPXSIRTRIL-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.79
Rot. Bonds3

About N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine

N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine (PubChem CID 15989749) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
PubChem CID15989749
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
SMILESCc1cc(C)cc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)c1
InChIInChI=1S/C21H21N5/c1-13-9-14(2)11-17(10-13)22-20-21(26-16(4)12-15(3)25-26)24-19-8-6-5-7-18(19)23-20/h5-12H,1-4H3,(H,22,23)
InChIKeyJEPLLPXSIRTRIL-UHFFFAOYSA-N
XLogP4.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 22432171
N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989729
3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate
CID 22090511
N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 101211910
N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide
CID 46248995
6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine
CID 5300818
N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine
CID 15989782
6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-ethylphenyl)quinoxalin-2-amine
CID 22432192
6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine
CID 22432179
4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 22541100
1-[2-(3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43282141
1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole
CID 39240351

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine (CID 15989749) is N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine is Cc1cc(C)cc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
The InChIKey is JEPLLPXSIRTRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-13-9-14(2)11-17(10-13)22-20-21(26-16(4)12-15(3)25-26)24-19-8-6-5-7-18(19)23-20/h5-12H,1-4H3,(H,22,23).
What are the key properties of N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine has a molecular weight of 343.43 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine is sourced from PubChem (CID 15989749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).