1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine

C17H17N3O3S — CID 1258168

IUPAC1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
SMILESCOc1ccc(S(=O)(=O)n2cc(-c3ccc(C)cc3)c(N)n2)cc1
InChIInChI=1S/C17H17N3O3S/c1-12-3-5-13(6-4-12)16-11-20(19-17(16)18)24(21,22)15-9-7-14(23-2)8-10-15/h3-11H,1-2H3,(H2,18,19)
InChIKeyHUDIOEWBIOAERO-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.69
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine

1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine (PubChem CID 1258168) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
PubChem CID1258168
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
SMILESCOc1ccc(S(=O)(=O)n2cc(-c3ccc(C)cc3)c(N)n2)cc1
InChIInChI=1S/C17H17N3O3S/c1-12-3-5-13(6-4-12)16-11-20(19-17(16)18)24(21,22)15-9-7-14(23-2)8-10-15/h3-11H,1-2H3,(H2,18,19)
InChIKeyHUDIOEWBIOAERO-UHFFFAOYSA-N
XLogP2.69
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine (CID 1258168) is 1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine is COc1ccc(S(=O)(=O)n2cc(-c3ccc(C)cc3)c(N)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine?
The InChIKey is HUDIOEWBIOAERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-3-5-13(6-4-12)16-11-20(19-17(16)18)24(21,22)15-9-7-14(23-2)8-10-15/h3-11H,1-2H3,(H2,18,19).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine?
1-(4-methoxyphenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine has a molecular weight of 343.41 g/mol, XLogP of 2.69, 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-4-(4-methylphenyl)pyrazol-3-amine is sourced from PubChem (CID 1258168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).