5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline

C18H16N4O2S — CID 47062340

IUPAC5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline
SMILESCS(=O)(=O)N1N=C(c2ccccc2)CC1c1cccc2nccnc12
InChIInChI=1S/C18H16N4O2S/c1-25(23,24)22-17(12-16(21-22)13-6-3-2-4-7-13)14-8-5-9-15-18(14)20-11-10-19-15/h2-11,17H,12H2,1H3
InChIKeyZYMQDTCLIAXYGG-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.74
Rot. Bonds3

About 5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline

5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline (PubChem CID 47062340) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline.

Molecular Properties

Compound Name5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline
PubChem CID47062340
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline
SMILESCS(=O)(=O)N1N=C(c2ccccc2)CC1c1cccc2nccnc12
InChIInChI=1S/C18H16N4O2S/c1-25(23,24)22-17(12-16(21-22)13-6-3-2-4-7-13)14-8-5-9-15-18(14)20-11-10-19-15/h2-11,17H,12H2,1H3
InChIKeyZYMQDTCLIAXYGG-UHFFFAOYSA-N
XLogP2.74
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CID 51701428
6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 1417686
2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
CID 2953116
(3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide
CID 95789496
(3R)-3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 703901
4-[(3S)-5-(4-methylphenyl)-3-quinoxalin-5-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 95789605
(3S)-5-phenyl-N-(2-phenylethyl)-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide
CID 95789502
(3R)-3-(2-methoxyphenyl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 1386618
(3R)-3-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 97063965
4-[(3S)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
CID 40989243
3-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 71844513
6-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 3157414

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline?
The IUPAC name of 5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline (CID 47062340) is 5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline.
What is the SMILES notation for 5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline?
The canonical SMILES for 5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline is CS(=O)(=O)N1N=C(c2ccccc2)CC1c1cccc2nccnc12.
What is the InChIKey of 5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline?
The InChIKey is ZYMQDTCLIAXYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-25(23,24)22-17(12-16(21-22)13-6-3-2-4-7-13)14-8-5-9-15-18(14)20-11-10-19-15/h2-11,17H,12H2,1H3.
What are the key properties of 5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline?
5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline has a molecular weight of 352.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline is sourced from PubChem (CID 47062340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).