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

C19H22N2O5S — CID 4562967

IUPAC5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-24-15-8-5-13(6-9-15)17-12-16(20-21(17)27(4,22)23)14-7-10-18(25-2)19(11-14)26-3/h5-11,17H,12H2,1-4H3
InChIKeyMGVMMKDTHQONIS-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.82
Rot. Bonds6

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

5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole (PubChem CID 4562967) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
PubChem CID4562967
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-24-15-8-5-13(6-9-15)17-12-16(20-21(17)27(4,22)23)14-7-10-18(25-2)19(11-14)26-3/h5-11,17H,12H2,1-4H3
InChIKeyMGVMMKDTHQONIS-UHFFFAOYSA-N
XLogP2.82
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole (CID 4562967) is 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole is COc1ccc(C2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)cc1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The InChIKey is MGVMMKDTHQONIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-24-15-8-5-13(6-9-15)17-12-16(20-21(17)27(4,22)23)14-7-10-18(25-2)19(11-14)26-3/h5-11,17H,12H2,1-4H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole has a molecular weight of 390.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole is sourced from PubChem (CID 4562967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).