3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine

C16H14FN3O2S — CID 20873603

IUPAC3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
SMILESCc1ccc(S(=O)(=O)n2nc(-c3cccc(F)c3)cc2N)cc1
InChIInChI=1S/C16H14FN3O2S/c1-11-5-7-14(8-6-11)23(21,22)20-16(18)10-15(19-20)12-3-2-4-13(17)9-12/h2-10H,18H2,1H3
InChIKeyPVYOLOMIBNMTRM-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.82
Rot. Bonds3

About 3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine

3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine (PubChem CID 20873603) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
PubChem CID20873603
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
SMILESCc1ccc(S(=O)(=O)n2nc(-c3cccc(F)c3)cc2N)cc1
InChIInChI=1S/C16H14FN3O2S/c1-11-5-7-14(8-6-11)23(21,22)20-16(18)10-15(19-20)12-3-2-4-13(17)9-12/h2-10H,18H2,1H3
InChIKeyPVYOLOMIBNMTRM-UHFFFAOYSA-N
XLogP2.82
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine?
The IUPAC name of 3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine (CID 20873603) is 3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine?
The canonical SMILES for 3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine is Cc1ccc(S(=O)(=O)n2nc(-c3cccc(F)c3)cc2N)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine?
The InChIKey is PVYOLOMIBNMTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-11-5-7-14(8-6-11)23(21,22)20-16(18)10-15(19-20)12-3-2-4-13(17)9-12/h2-10H,18H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine?
3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine has a molecular weight of 331.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine is sourced from PubChem (CID 20873603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).