3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine

C18H18FN3O3S — CID 20873573

IUPAC3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine
SMILESCCOc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(F)c(C)c3)n2)cc1
InChIInChI=1S/C18H18FN3O3S/c1-3-25-14-6-4-13(5-7-14)17-11-18(20)22(21-17)26(23,24)15-8-9-16(19)12(2)10-15/h4-11H,3,20H2,1-2H3
InChIKeyXCAZVCKXEOWHTQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.22
Rot. Bonds5

About 3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine

3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine (PubChem CID 20873573) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine
PubChem CID20873573
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine
SMILESCCOc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(F)c(C)c3)n2)cc1
InChIInChI=1S/C18H18FN3O3S/c1-3-25-14-6-4-13(5-7-14)17-11-18(20)22(21-17)26(23,24)15-8-9-16(19)12(2)10-15/h4-11H,3,20H2,1-2H3
InChIKeyXCAZVCKXEOWHTQ-UHFFFAOYSA-N
XLogP3.22
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-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 3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine?
The IUPAC name of 3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine (CID 20873573) is 3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine is CCOc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(F)c(C)c3)n2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine?
The InChIKey is XCAZVCKXEOWHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-3-25-14-6-4-13(5-7-14)17-11-18(20)22(21-17)26(23,24)15-8-9-16(19)12(2)10-15/h4-11H,3,20H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine?
3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine has a molecular weight of 375.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine is sourced from PubChem (CID 20873573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).