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

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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).