3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine

C13H15F2N3O2S — CID 83208419

IUPAC3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine
SMILESCCS(=O)(=O)CCn1cc(N)c(-c2cc(F)ccc2F)n1
InChIInChI=1S/C13H15F2N3O2S/c1-2-21(19,20)6-5-18-8-12(16)13(17-18)10-7-9(14)3-4-11(10)15/h3-4,7-8H,2,5-6,16H2,1H3
InChIKeyIMPYKKBSJARXJO-UHFFFAOYSA-N
MW315.34 g/mol
LogP1.85
Rot. Bonds5

About 3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine

3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine (PubChem CID 83208419) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine
PubChem CID83208419
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.34 g/mol
Exact Mass315.09
IUPAC Name3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine
SMILESCCS(=O)(=O)CCn1cc(N)c(-c2cc(F)ccc2F)n1
InChIInChI=1S/C13H15F2N3O2S/c1-2-21(19,20)6-5-18-8-12(16)13(17-18)10-7-9(14)3-4-11(10)15/h3-4,7-8H,2,5-6,16H2,1H3
InChIKeyIMPYKKBSJARXJO-UHFFFAOYSA-N
XLogP1.85
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine?
The IUPAC name of 3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine (CID 83208419) is 3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine is CCS(=O)(=O)CCn1cc(N)c(-c2cc(F)ccc2F)n1.
What is the InChIKey of 3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine?
The InChIKey is IMPYKKBSJARXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-2-21(19,20)6-5-18-8-12(16)13(17-18)10-7-9(14)3-4-11(10)15/h3-4,7-8H,2,5-6,16H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine?
3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine has a molecular weight of 315.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)pyrazol-4-amine is sourced from PubChem (CID 83208419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).