3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine

C13H17N3O4S — CID 20873591

IUPAC3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine
SMILESCCS(=O)(=O)n1nc(-c2ccc(OC)cc2OC)cc1N
InChIInChI=1S/C13H17N3O4S/c1-4-21(17,18)16-13(14)8-11(15-16)10-6-5-9(19-2)7-12(10)20-3/h5-8H,4,14H2,1-3H3
InChIKeyDNQNYQFZRFYTJQ-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.35
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine

3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine (PubChem CID 20873591) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine
PubChem CID20873591
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine
SMILESCCS(=O)(=O)n1nc(-c2ccc(OC)cc2OC)cc1N
InChIInChI=1S/C13H17N3O4S/c1-4-21(17,18)16-13(14)8-11(15-16)10-6-5-9(19-2)7-12(10)20-3/h5-8H,4,14H2,1-3H3
InChIKeyDNQNYQFZRFYTJQ-UHFFFAOYSA-N
XLogP1.35
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine (CID 20873591) is 3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine is CCS(=O)(=O)n1nc(-c2ccc(OC)cc2OC)cc1N.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine?
The InChIKey is DNQNYQFZRFYTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-4-21(17,18)16-13(14)8-11(15-16)10-6-5-9(19-2)7-12(10)20-3/h5-8H,4,14H2,1-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine?
3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine has a molecular weight of 311.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-ethylsulfonylpyrazol-5-amine is sourced from PubChem (CID 20873591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).