4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine

C17H16FN3O3S — CID 1265973

IUPAC4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine
SMILESCCOc1ccc(-c2cn(S(=O)(=O)c3ccc(F)cc3)nc2N)cc1
InChIInChI=1S/C17H16FN3O3S/c1-2-24-14-7-3-12(4-8-14)16-11-21(20-17(16)19)25(22,23)15-9-5-13(18)6-10-15/h3-11H,2H2,1H3,(H2,19,20)
InChIKeyBBLLGMPSTFJDCE-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.91
Rot. Bonds5

About 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine

4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine (PubChem CID 1265973) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine
PubChem CID1265973
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine
SMILESCCOc1ccc(-c2cn(S(=O)(=O)c3ccc(F)cc3)nc2N)cc1
InChIInChI=1S/C17H16FN3O3S/c1-2-24-14-7-3-12(4-8-14)16-11-21(20-17(16)19)25(22,23)15-9-5-13(18)6-10-15/h3-11H,2H2,1H3,(H2,19,20)
InChIKeyBBLLGMPSTFJDCE-UHFFFAOYSA-N
XLogP2.91
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine (CID 1265973) is 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine is CCOc1ccc(-c2cn(S(=O)(=O)c3ccc(F)cc3)nc2N)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine?
The InChIKey is BBLLGMPSTFJDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-2-24-14-7-3-12(4-8-14)16-11-21(20-17(16)19)25(22,23)15-9-5-13(18)6-10-15/h3-11H,2H2,1H3,(H2,19,20).
What are the key properties of 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine?
4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine has a molecular weight of 361.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 1265973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).