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

C19H18N4O2S — CID 100660996

IUPAC2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2cnc3ccccc3n2)C1
InChIInChI=1S/C19H18N4O2S/c1-13-7-3-4-8-14(13)17-11-19(23(22-17)26(2,24)25)18-12-20-15-9-5-6-10-16(15)21-18/h3-10,12,19H,11H2,1-2H3/t19-/m1/s1
InChIKeyKTMZHVJNNFOGAX-LJQANCHMSA-N
MW366.45 g/mol
LogP3.05
Rot. Bonds3

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

2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline (PubChem CID 100660996) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
PubChem CID100660996
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2cnc3ccccc3n2)C1
InChIInChI=1S/C19H18N4O2S/c1-13-7-3-4-8-14(13)17-11-19(23(22-17)26(2,24)25)18-12-20-15-9-5-6-10-16(15)21-18/h3-10,12,19H,11H2,1-2H3/t19-/m1/s1
InChIKeyKTMZHVJNNFOGAX-LJQANCHMSA-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

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Related Compounds

2-[(3S)-5-(2-fluoro-4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100659019
2-[(3S)-5-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100660582
5-(2-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 119038816
2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100661057
(3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 100655454
3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 119038792
2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100661309
3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 122155670
6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 1417686
(3R)-5-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 97309764
(3R)-2-methylsulfonyl-5-(2-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
CID 124741976
6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42568714

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The IUPAC name of 2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline (CID 100660996) is 2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline.
What is the SMILES notation for 2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The canonical SMILES for 2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline is Cc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2cnc3ccccc3n2)C1.
What is the InChIKey of 2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The InChIKey is KTMZHVJNNFOGAX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-7-3-4-8-14(13)17-11-19(23(22-17)26(2,24)25)18-12-20-15-9-5-6-10-16(15)21-18/h3-10,12,19H,11H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
2-[(3R)-5-(2-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 2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline is sourced from PubChem (CID 100660996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).