1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine

C16H14BrN3O2S — CID 126457155

IUPAC1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H14BrN3O2S/c17-14-8-6-13(7-9-14)15-10-16(18)20(19-15)23(21,22)11-12-4-2-1-3-5-12/h1-10H,11,18H2
InChIKeyOHTLYIIYELYCRP-UHFFFAOYSA-N
MW392.28 g/mol
LogP3.27
Rot. Bonds4

About 1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine

1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine (PubChem CID 126457155) has the molecular formula C16H14BrN3O2S and a molecular weight of 392.28 g/mol. Its IUPAC name is 1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine
PubChem CID126457155
Molecular FormulaC16H14BrN3O2S
Molecular Weight392.28 g/mol
Exact Mass391.00
IUPAC Name1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H14BrN3O2S/c17-14-8-6-13(7-9-14)15-10-16(18)20(19-15)23(21,22)11-12-4-2-1-3-5-12/h1-10H,11,18H2
InChIKeyOHTLYIIYELYCRP-UHFFFAOYSA-N
XLogP3.27
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-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-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine?
The IUPAC name of 1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine (CID 126457155) is 1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine.
What is the SMILES notation for 1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine?
The canonical SMILES for 1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine is Nc1cc(-c2ccc(Br)cc2)nn1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine?
The InChIKey is OHTLYIIYELYCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2S/c17-14-8-6-13(7-9-14)15-10-16(18)20(19-15)23(21,22)11-12-4-2-1-3-5-12/h1-10H,11,18H2.
What are the key properties of 1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine?
1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine has a molecular weight of 392.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine is sourced from PubChem (CID 126457155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).