1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine

C14H18FN3O2S — CID 83209040

IUPAC1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
SMILESCCS(=O)(=O)CCn1cc(N)c(-c2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H18FN3O2S/c1-3-21(19,20)7-6-18-9-13(16)14(17-18)11-5-4-10(2)12(15)8-11/h4-5,8-9H,3,6-7,16H2,1-2H3
InChIKeyYORWDHXTEYGMSI-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.01
Rot. Bonds5

About 1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine

1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine (PubChem CID 83209040) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
PubChem CID83209040
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
SMILESCCS(=O)(=O)CCn1cc(N)c(-c2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H18FN3O2S/c1-3-21(19,20)7-6-18-9-13(16)14(17-18)11-5-4-10(2)12(15)8-11/h4-5,8-9H,3,6-7,16H2,1-2H3
InChIKeyYORWDHXTEYGMSI-UHFFFAOYSA-N
XLogP2.01
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine?
The IUPAC name of 1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine (CID 83209040) is 1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine is CCS(=O)(=O)CCn1cc(N)c(-c2ccc(C)c(F)c2)n1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine?
The InChIKey is YORWDHXTEYGMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-3-21(19,20)7-6-18-9-13(16)14(17-18)11-5-4-10(2)12(15)8-11/h4-5,8-9H,3,6-7,16H2,1-2H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine?
1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine has a molecular weight of 311.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83209040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).