1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine

C16H15N3O3S — CID 20873558

IUPAC1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
SMILESCOc1ccc(S(=O)(=O)n2nc(-c3ccccc3)cc2N)cc1
InChIInChI=1S/C16H15N3O3S/c1-22-13-7-9-14(10-8-13)23(20,21)19-16(17)11-15(18-19)12-5-3-2-4-6-12/h2-11H,17H2,1H3
InChIKeyFDKNWIZWAXNLGA-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.38
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine

1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine (PubChem CID 20873558) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
PubChem CID20873558
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
SMILESCOc1ccc(S(=O)(=O)n2nc(-c3ccccc3)cc2N)cc1
InChIInChI=1S/C16H15N3O3S/c1-22-13-7-9-14(10-8-13)23(20,21)19-16(17)11-15(18-19)12-5-3-2-4-6-12/h2-11H,17H2,1H3
InChIKeyFDKNWIZWAXNLGA-UHFFFAOYSA-N
XLogP2.38
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazol-5-amine
CID 20873615
1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine
CID 126458326
3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
CID 46257924
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 20867089
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 12531782
4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 3681501
3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine
CID 91872028
3-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
CID 46257909
3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine
CID 20873573
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 2-nitrobenzoate
CID 45485589
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 3-methylbenzoate
CID 4225458
1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 20873580

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine (CID 20873558) is 1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine is COc1ccc(S(=O)(=O)n2nc(-c3ccccc3)cc2N)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine?
The InChIKey is FDKNWIZWAXNLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-22-13-7-9-14(10-8-13)23(20,21)19-16(17)11-15(18-19)12-5-3-2-4-6-12/h2-11H,17H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine?
1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine has a molecular weight of 329.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine is sourced from PubChem (CID 20873558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).