4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine

C17H17N3O3S — CID 2222458

IUPAC4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
SMILESCOc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)nc1N
InChIInChI=1S/C17H17N3O3S/c1-12-7-9-13(10-8-12)24(21,22)20-11-15(17(18)19-20)14-5-3-4-6-16(14)23-2/h3-11H,1-2H3,(H2,18,19)
InChIKeyZKCDATHUKUSBKO-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.69
Rot. Bonds4

About 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine

4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine (PubChem CID 2222458) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
PubChem CID2222458
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
SMILESCOc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)nc1N
InChIInChI=1S/C17H17N3O3S/c1-12-7-9-13(10-8-12)24(21,22)20-11-15(17(18)19-20)14-5-3-4-6-16(14)23-2/h3-11H,1-2H3,(H2,18,19)
InChIKeyZKCDATHUKUSBKO-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 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine (CID 2222458) is 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine is COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)nc1N.
What is the InChIKey of 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine?
The InChIKey is ZKCDATHUKUSBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-7-9-13(10-8-12)24(21,22)20-11-15(17(18)19-20)14-5-3-4-6-16(14)23-2/h3-11H,1-2H3,(H2,18,19).
What are the key properties of 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine?
4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-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 4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 2222458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).