N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide

C12H16N4O2S — CID 63233869

IUPACN-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCN(c1ccc(N)cc1)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C12H16N4O2S/c1-3-16(11-6-4-10(13)5-7-11)19(17,18)12-8-14-15-9(12)2/h4-8H,3,13H2,1-2H3,(H,14,15)
InChIKeyLPZWJIFFNQFDFK-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.52
Rot. Bonds4

About N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide

N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 63233869) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID63233869
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCN(c1ccc(N)cc1)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C12H16N4O2S/c1-3-16(11-6-4-10(13)5-7-11)19(17,18)12-8-14-15-9(12)2/h4-8H,3,13H2,1-2H3,(H,14,15)
InChIKeyLPZWJIFFNQFDFK-UHFFFAOYSA-N
XLogP1.52
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60911604
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 60912336
2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid
CID 60910822
N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912475
N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
CID 63234087
5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 61076203
N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366
N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60910953
N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 63233568
N-[(3-aminophenyl)methyl]-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911327
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 62009033

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide (CID 63233869) is N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide is CCN(c1ccc(N)cc1)S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LPZWJIFFNQFDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-16(11-6-4-10(13)5-7-11)19(17,18)12-8-14-15-9(12)2/h4-8H,3,13H2,1-2H3,(H,14,15).
What are the key properties of N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63233869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).