6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline

C19H18N4O2S — CID 4575279

IUPAC6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCc1ccc(C2=NN(S(C)(=O)=O)C(c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C19H18N4O2S/c1-13-3-5-14(6-4-13)17-12-19(23(22-17)26(2,24)25)15-7-8-16-18(11-15)21-10-9-20-16/h3-11,19H,12H2,1-2H3
InChIKeyGPGRNNYIUQIZIM-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.05
Rot. Bonds3

About 6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline

6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline (PubChem CID 4575279) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
PubChem CID4575279
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCc1ccc(C2=NN(S(C)(=O)=O)C(c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C19H18N4O2S/c1-13-3-5-14(6-4-13)17-12-19(23(22-17)26(2,24)25)15-7-8-16-18(11-15)21-10-9-20-16/h3-11,19H,12H2,1-2H3
InChIKeyGPGRNNYIUQIZIM-UHFFFAOYSA-N
XLogP3.05
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The IUPAC name of 6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline (CID 4575279) is 6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The canonical SMILES for 6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline is Cc1ccc(C2=NN(S(C)(=O)=O)C(c3ccc4nccnc4c3)C2)cc1.
What is the InChIKey of 6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The InChIKey is GPGRNNYIUQIZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-3-5-14(6-4-13)17-12-19(23(22-17)26(2,24)25)15-7-8-16-18(11-15)21-10-9-20-16/h3-11,19H,12H2,1-2H3.
What are the key properties of 6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline has a molecular weight of 366.45 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline is sourced from PubChem (CID 4575279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).