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

C17H16FN3O2S — CID 1258072

IUPAC4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc(F)c(C)c3)c(N)n2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-11-3-6-14(7-4-11)24(22,23)21-10-15(17(19)20-21)13-5-8-16(18)12(2)9-13/h3-10H,1-2H3,(H2,19,20)
InChIKeyABESLEMZLULZPZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.13
Rot. Bonds3

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

4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine (PubChem CID 1258072) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
PubChem CID1258072
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc(F)c(C)c3)c(N)n2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-11-3-6-14(7-4-11)24(22,23)21-10-15(17(19)20-21)13-5-8-16(18)12(2)9-13/h3-10H,1-2H3,(H2,19,20)
InChIKeyABESLEMZLULZPZ-UHFFFAOYSA-N
XLogP3.13
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
CID 935379
4-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-amine
CID 1256527
1-(4-Bromophenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 2236864
N-tosyl-4-phenylpyrazole
CID 11254999
1-(Benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine
CID 935662
1-(Benzenesulfonyl)-4-(4-fluorophenyl)pyrazol-3-amine
CID 972834
1-(4-Fluorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
CID 1256523
4-(4-Chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine
CID 1265059
1-(4-Chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine
CID 1299589
1-(4-Chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine
CID 1300177
4-(4-Chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine
CID 2234371
1-(Benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine
CID 2986590

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine (CID 1258072) is 4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine is Cc1ccc(S(=O)(=O)n2cc(-c3ccc(F)c(C)c3)c(N)n2)cc1.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine?
The InChIKey is ABESLEMZLULZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-11-3-6-14(7-4-11)24(22,23)21-10-15(17(19)20-21)13-5-8-16(18)12(2)9-13/h3-10H,1-2H3,(H2,19,20).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine?
4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine has a molecular weight of 345.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 1258072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).