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

C19H18N4O3S — CID 1091980

IUPAC6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCOc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C19H18N4O3S/c1-26-15-6-3-13(4-7-15)17-12-19(23(22-17)27(2,24)25)14-5-8-16-18(11-14)21-10-9-20-16/h3-11,19H,12H2,1-2H3/t19-/m1/s1
InChIKeyRAQUIKOFQZADGS-LJQANCHMSA-N
MW382.45 g/mol
LogP2.75
Rot. Bonds4

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

6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline (PubChem CID 1091980) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
PubChem CID1091980
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
SMILESCOc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C19H18N4O3S/c1-26-15-6-3-13(4-7-15)17-12-19(23(22-17)27(2,24)25)14-5-8-16-18(11-14)21-10-9-20-16/h3-11,19H,12H2,1-2H3/t19-/m1/s1
InChIKeyRAQUIKOFQZADGS-LJQANCHMSA-N
XLogP2.75
TPSA84.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 3157414
6-[(3R)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 1417686
(3S)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 703928
3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 3838829
1-[5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-methylpropan-1-one
CID 16877100
(3S)-3-(3,5-dimethoxyphenyl)-5-(4-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 100654529
N-[4-[(3S)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41049263
6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42568714
3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 4309682
6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 29132132
6-[2-(benzenesulfonyl)-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 17497982
3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 122155650

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The IUPAC name of 6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline (CID 1091980) is 6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The canonical SMILES for 6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline is COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc4nccnc4c3)C2)cc1.
What is the InChIKey of 6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
The InChIKey is RAQUIKOFQZADGS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-26-15-6-3-13(4-7-15)17-12-19(23(22-17)27(2,24)25)14-5-8-16-18(11-14)21-10-9-20-16/h3-11,19H,12H2,1-2H3/t19-/m1/s1.
What are the key properties of 6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline?
6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline has a molecular weight of 382.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline is sourced from PubChem (CID 1091980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).