3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole

C20H24N2O5S — CID 86819958

IUPAC3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCCOc1ccccc1C1=NN(S(C)(=O)=O)C(c2ccc(OC)cc2OC)C1
InChIInChI=1S/C20H24N2O5S/c1-5-27-19-9-7-6-8-15(19)17-13-18(22(21-17)28(4,23)24)16-11-10-14(25-2)12-20(16)26-3/h6-12,18H,5,13H2,1-4H3
InChIKeyCRVIPJUTXXAUBR-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.21
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole

3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole (PubChem CID 86819958) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
PubChem CID86819958
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCCOc1ccccc1C1=NN(S(C)(=O)=O)C(c2ccc(OC)cc2OC)C1
InChIInChI=1S/C20H24N2O5S/c1-5-27-19-9-7-6-8-15(19)17-13-18(22(21-17)28(4,23)24)16-11-10-14(25-2)12-20(16)26-3/h6-12,18H,5,13H2,1-4H3
InChIKeyCRVIPJUTXXAUBR-UHFFFAOYSA-N
XLogP3.21
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-5-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 97309764
2-chloro-6-ethoxy-3-[5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline
CID 4600879
(3R)-3-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 99797660
3-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 86819979
3-(2,4-dimethoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 71906206
(3R)-3-(2-methoxyphenyl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 1386618
(3S)-5-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 100750434
3-(2,5-dimethoxyphenyl)-5-(3,5-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 86820226
3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 4309682
(3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole
CID 97309678
(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

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole (CID 86819958) is 3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole is CCOc1ccccc1C1=NN(S(C)(=O)=O)C(c2ccc(OC)cc2OC)C1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The InChIKey is CRVIPJUTXXAUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-5-27-19-9-7-6-8-15(19)17-13-18(22(21-17)28(4,23)24)16-11-10-14(25-2)12-20(16)26-3/h6-12,18H,5,13H2,1-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole has a molecular weight of 404.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole is sourced from PubChem (CID 86819958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).