1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide

C13H18N4O2S — CID 104616865

IUPAC1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCCCc1cc(NS(=O)(=O)Cc2ccc(N)cc2)n[nH]1
InChIInChI=1S/C13H18N4O2S/c1-2-3-12-8-13(16-15-12)17-20(18,19)9-10-4-6-11(14)7-5-10/h4-8H,2-3,9,14H2,1H3,(H2,15,16,17)
InChIKeyRHHYFUOTOPZOED-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.89
Rot. Bonds6

About 1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide

1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 104616865) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID104616865
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCCCc1cc(NS(=O)(=O)Cc2ccc(N)cc2)n[nH]1
InChIInChI=1S/C13H18N4O2S/c1-2-3-12-8-13(16-15-12)17-20(18,19)9-10-4-6-11(14)7-5-10/h4-8H,2-3,9,14H2,1H3,(H2,15,16,17)
InChIKeyRHHYFUOTOPZOED-UHFFFAOYSA-N
XLogP1.89
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115698303
N-(methylsulfamoyl)-5-propyl-1H-pyrazol-3-amine
CID 114810260
3-amino-2,6-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616869
6-amino-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-sulfonamide
CID 104616839
N-(5-propyl-1H-pyrazol-3-yl)propane-2-sulfonamide
CID 115698347
3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide
CID 104620677
2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616823
1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
CID 63821706
3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616817
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617482
2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616854

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide (CID 104616865) is 1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide is CCCc1cc(NS(=O)(=O)Cc2ccc(N)cc2)n[nH]1.
What is the InChIKey of 1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is RHHYFUOTOPZOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-3-12-8-13(16-15-12)17-20(18,19)9-10-4-6-11(14)7-5-10/h4-8H,2-3,9,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide?
1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 104616865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).