6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline

C19H18N4O2S — CID 12005791

IUPAC6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline
SMILESCCS(=O)(=O)N1N=C(c2ccccc2)CC1c1ccc2nccnc2c1
InChIInChI=1S/C19H18N4O2S/c1-2-26(24,25)23-19(13-17(22-23)14-6-4-3-5-7-14)15-8-9-16-18(12-15)21-11-10-20-16/h3-12,19H,2,13H2,1H3
InChIKeyGTWUZVQDPNOECL-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.13
Rot. Bonds4

About 6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline

6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline (PubChem CID 12005791) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline.

Molecular Properties

Compound Name6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline
PubChem CID12005791
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline
SMILESCCS(=O)(=O)N1N=C(c2ccccc2)CC1c1ccc2nccnc2c1
InChIInChI=1S/C19H18N4O2S/c1-2-26(24,25)23-19(13-17(22-23)14-6-4-3-5-7-14)15-8-9-16-18(12-15)21-11-10-20-16/h3-12,19H,2,13H2,1H3
InChIKeyGTWUZVQDPNOECL-UHFFFAOYSA-N
XLogP3.13
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline?
The IUPAC name of 6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline (CID 12005791) is 6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline.
What is the SMILES notation for 6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline?
The canonical SMILES for 6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline is CCS(=O)(=O)N1N=C(c2ccccc2)CC1c1ccc2nccnc2c1.
What is the InChIKey of 6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline?
The InChIKey is GTWUZVQDPNOECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-2-26(24,25)23-19(13-17(22-23)14-6-4-3-5-7-14)15-8-9-16-18(12-15)21-11-10-20-16/h3-12,19H,2,13H2,1H3.
What are the key properties of 6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline?
6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline has a molecular weight of 366.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline is sourced from PubChem (CID 12005791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).