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

C16H15N3O3S — CID 934698

IUPAC1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine
SMILESCOc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1
InChIInChI=1S/C16H15N3O3S/c1-22-13-7-9-14(10-8-13)23(20,21)19-11-15(16(17)18-19)12-5-3-2-4-6-12/h2-11H,1H3,(H2,17,18)
InChIKeyPVFIRFVHTRFKBC-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.38
Rot. Bonds4

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

1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine (PubChem CID 934698) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine
PubChem CID934698
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine
SMILESCOc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1
InChIInChI=1S/C16H15N3O3S/c1-22-13-7-9-14(10-8-13)23(20,21)19-11-15(16(17)18-19)12-5-3-2-4-6-12/h2-11H,1H3,(H2,17,18)
InChIKeyPVFIRFVHTRFKBC-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

Analyze 1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine (CID 934698) is 1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine is COc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine?
The InChIKey is PVFIRFVHTRFKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-22-13-7-9-14(10-8-13)23(20,21)19-11-15(16(17)18-19)12-5-3-2-4-6-12/h2-11H,1H3,(H2,17,18).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine?
1-(4-methoxyphenyl)sulfonyl-4-phenylpyrazol-3-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-4-phenylpyrazol-3-amine is sourced from PubChem (CID 934698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).