2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine

C11H15N5O2S — CID 114804734

IUPAC2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine
SMILESCCNS(=O)(=O)Nc1ccnn1-c1ccc(N)cc1
InChIInChI=1S/C11H15N5O2S/c1-2-14-19(17,18)15-11-7-8-13-16(11)10-5-3-9(12)4-6-10/h3-8,14-15H,2,12H2,1H3
InChIKeyVYPNMWLYJBCJDN-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.72
Rot. Bonds5

About 2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine

2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine (PubChem CID 114804734) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine
PubChem CID114804734
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine
SMILESCCNS(=O)(=O)Nc1ccnn1-c1ccc(N)cc1
InChIInChI=1S/C11H15N5O2S/c1-2-14-19(17,18)15-11-7-8-13-16(11)10-5-3-9(12)4-6-10/h3-8,14-15H,2,12H2,1H3
InChIKeyVYPNMWLYJBCJDN-UHFFFAOYSA-N
XLogP0.72
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine?
The IUPAC name of 2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine (CID 114804734) is 2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine.
What is the SMILES notation for 2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine?
The canonical SMILES for 2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine is CCNS(=O)(=O)Nc1ccnn1-c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine?
The InChIKey is VYPNMWLYJBCJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-2-14-19(17,18)15-11-7-8-13-16(11)10-5-3-9(12)4-6-10/h3-8,14-15H,2,12H2,1H3.
What are the key properties of 2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine?
2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine has a molecular weight of 281.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(ethylsulfamoyl)pyrazol-3-amine is sourced from PubChem (CID 114804734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).