3-amino-1-methyl-N-octylpyrazole-4-sulfonamide

C12H24N4O2S — CID 115566064

IUPAC3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H24N4O2S/c1-3-4-5-6-7-8-9-14-19(17,18)11-10-16(2)15-12(11)13/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyYUDROZKLYJNLBO-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.64
Rot. Bonds9

About 3-amino-1-methyl-N-octylpyrazole-4-sulfonamide

3-amino-1-methyl-N-octylpyrazole-4-sulfonamide (PubChem CID 115566064) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-amino-1-methyl-N-octylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
PubChem CID115566064
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H24N4O2S/c1-3-4-5-6-7-8-9-14-19(17,18)11-10-16(2)15-12(11)13/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyYUDROZKLYJNLBO-UHFFFAOYSA-N
XLogP1.64
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-1-methyl-N-octylpyrazole-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

1,3-dimethyl-N-undecylpyrazole-4-sulfonamide
CID 19681469
1,3-dimethyl-N-octylpyrazole-4-sulfonamide
CID 19681357
N-hexyl-1,3-dimethylpyrazole-4-sulfonamide
CID 19681255
3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide
CID 106208401
3-amino-N-(3-hydroxybutyl)-1-methylpyrazole-4-sulfonamide
CID 64929598
3-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-4-sulfonamide
CID 64517993
3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 60808925
3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115515192
3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114615063
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218
3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
CID 61125115
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide
CID 62976625

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-octylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-octylpyrazole-4-sulfonamide (CID 115566064) is 3-amino-1-methyl-N-octylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-octylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-octylpyrazole-4-sulfonamide is CCCCCCCCNS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-1-methyl-N-octylpyrazole-4-sulfonamide?
The InChIKey is YUDROZKLYJNLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-3-4-5-6-7-8-9-14-19(17,18)11-10-16(2)15-12(11)13/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-1-methyl-N-octylpyrazole-4-sulfonamide?
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-octylpyrazole-4-sulfonamide is sourced from PubChem (CID 115566064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).