1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine

C20H23N3O7S — CID 5309498

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(S(=O)(=O)n2nc(-c3cc(OC)c(OC)c(OC)c3)cc2N)cc1OC
InChIInChI=1S/C20H23N3O7S/c1-26-15-7-6-13(10-16(15)27-2)31(24,25)23-19(21)11-14(22-23)12-8-17(28-3)20(30-5)18(9-12)29-4/h6-11H,21H2,1-5H3
InChIKeyOXLSWSZNPSIDJV-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.41
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine

1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine (PubChem CID 5309498) has the molecular formula C20H23N3O7S and a molecular weight of 449.49 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine
PubChem CID5309498
Molecular FormulaC20H23N3O7S
Molecular Weight449.49 g/mol
Exact Mass449.13
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(S(=O)(=O)n2nc(-c3cc(OC)c(OC)c(OC)c3)cc2N)cc1OC
InChIInChI=1S/C20H23N3O7S/c1-26-15-7-6-13(10-16(15)27-2)31(24,25)23-19(21)11-14(22-23)12-8-17(28-3)20(30-5)18(9-12)29-4/h6-11H,21H2,1-5H3
InChIKeyOXLSWSZNPSIDJV-UHFFFAOYSA-N
XLogP2.41
TPSA124.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine (CID 5309498) is 1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine is COc1ccc(S(=O)(=O)n2nc(-c3cc(OC)c(OC)c(OC)c3)cc2N)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine?
The InChIKey is OXLSWSZNPSIDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7S/c1-26-15-7-6-13(10-16(15)27-2)31(24,25)23-19(21)11-14(22-23)12-8-17(28-3)20(30-5)18(9-12)29-4/h6-11H,21H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine?
1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine has a molecular weight of 449.49 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 5309498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).