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

C21H21N5 — CID 6621633

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine
SMILESCc1cc(C)n(-c2nc3ccccc3nc2NCCc2ccccc2)n1
InChIInChI=1S/C21H21N5/c1-15-14-16(2)26(25-15)21-20(22-13-12-17-8-4-3-5-9-17)23-18-10-6-7-11-19(18)24-21/h3-11,14H,12-13H2,1-2H3,(H,22,23)
InChIKeyIHKPNUMZCJAYRJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.09
Rot. Bonds5

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

3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine (PubChem CID 6621633) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine
PubChem CID6621633
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine
SMILESCc1cc(C)n(-c2nc3ccccc3nc2NCCc2ccccc2)n1
InChIInChI=1S/C21H21N5/c1-15-14-16(2)26(25-15)21-20(22-13-12-17-8-4-3-5-9-17)23-18-10-6-7-11-19(18)24-21/h3-11,14H,12-13H2,1-2H3,(H,22,23)
InChIKeyIHKPNUMZCJAYRJ-UHFFFAOYSA-N
XLogP4.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine (CID 6621633) is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine is Cc1cc(C)n(-c2nc3ccccc3nc2NCCc2ccccc2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine?
The InChIKey is IHKPNUMZCJAYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-15-14-16(2)26(25-15)21-20(22-13-12-17-8-4-3-5-9-17)23-18-10-6-7-11-19(18)24-21/h3-11,14H,12-13H2,1-2H3,(H,22,23).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine has a molecular weight of 343.43 g/mol, XLogP of 4.09, 5 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-(2-phenylethyl)quinoxalin-2-amine is sourced from PubChem (CID 6621633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).