1-decyl-3,5-dimethylpyrazole-4-sulfonamide

C15H29N3O2S — CID 81336690

IUPAC1-decyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCCCCCCCCCn1nc(C)c(S(N)(=O)=O)c1C
InChIInChI=1S/C15H29N3O2S/c1-4-5-6-7-8-9-10-11-12-18-14(3)15(13(2)17-18)21(16,19)20/h4-12H2,1-3H3,(H2,16,19,20)
InChIKeyJDHJKAOTYKHDDI-UHFFFAOYSA-N
MW315.48 g/mol
LogP3.29
Rot. Bonds10

About 1-decyl-3,5-dimethylpyrazole-4-sulfonamide

1-decyl-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 81336690) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-decyl-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-decyl-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID81336690
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name1-decyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCCCCCCCCCn1nc(C)c(S(N)(=O)=O)c1C
InChIInChI=1S/C15H29N3O2S/c1-4-5-6-7-8-9-10-11-12-18-14(3)15(13(2)17-18)21(16,19)20/h4-12H2,1-3H3,(H2,16,19,20)
InChIKeyJDHJKAOTYKHDDI-UHFFFAOYSA-N
XLogP3.29
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-decyl-3,5-dimethylpyrazole-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

3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazole-4-sulfonamide
CID 115519864
3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide
CID 112592695
4-bromo-1-decyl-3,5-dimethylpyrazole
CID 63428341
2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine
CID 62729687
1-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 62726492
2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid
CID 62222579
1-butyl-3,5-diethylpyrazole-4-sulfonamide
CID 82700722
1-[2-(4-bromophenoxy)ethyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 81336689
1-(4-methoxybutyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 104648864
1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid
CID 66125014
5-amino-1-decyl-3-methylpyrazole-4-carboxamide
CID 21266075
1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide
CID 106074873

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-decyl-3,5-dimethylpyrazole-4-sulfonamide (CID 81336690) is 1-decyl-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-decyl-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-decyl-3,5-dimethylpyrazole-4-sulfonamide is CCCCCCCCCCn1nc(C)c(S(N)(=O)=O)c1C.
What is the InChIKey of 1-decyl-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is JDHJKAOTYKHDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-4-5-6-7-8-9-10-11-12-18-14(3)15(13(2)17-18)21(16,19)20/h4-12H2,1-3H3,(H2,16,19,20).
What are the key properties of 1-decyl-3,5-dimethylpyrazole-4-sulfonamide?
1-decyl-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 315.48 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 81336690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).