3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine

C19H20FN3O2S — CID 20867090

IUPAC3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine
SMILESCC(C)(C)c1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H20FN3O2S/c1-19(2,3)14-6-4-13(5-7-14)17-12-18(21)23(22-17)26(24,25)16-10-8-15(20)9-11-16/h4-12H,21H2,1-3H3
InChIKeyYQPJPYPILXUGDK-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.81
Rot. Bonds3

About 3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine

3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine (PubChem CID 20867090) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine
PubChem CID20867090
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine
SMILESCC(C)(C)c1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H20FN3O2S/c1-19(2,3)14-6-4-13(5-7-14)17-12-18(21)23(22-17)26(24,25)16-10-8-15(20)9-11-16/h4-12H,21H2,1-3H3
InChIKeyYQPJPYPILXUGDK-UHFFFAOYSA-N
XLogP3.81
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine?
The IUPAC name of 3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine (CID 20867090) is 3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine is CC(C)(C)c1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine?
The InChIKey is YQPJPYPILXUGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-19(2,3)14-6-4-13(5-7-14)17-12-18(21)23(22-17)26(24,25)16-10-8-15(20)9-11-16/h4-12H,21H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine?
3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine has a molecular weight of 373.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine is sourced from PubChem (CID 20867090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).