N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide

C10H17N3O2S — CID 115640454

IUPACN,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide
SMILESC=CCCCN(C)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H17N3O2S/c1-4-5-6-7-13(3)16(14,15)10-8-11-12-9(10)2/h4,8H,1,5-7H2,2-3H3,(H,11,12)
InChIKeyMJSTYRFKOVXGCZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.30
Rot. Bonds6

About N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide

N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide (PubChem CID 115640454) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide
PubChem CID115640454
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide
SMILESC=CCCCN(C)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H17N3O2S/c1-4-5-6-7-13(3)16(14,15)10-8-11-12-9(10)2/h4,8H,1,5-7H2,2-3H3,(H,11,12)
InChIKeyMJSTYRFKOVXGCZ-UHFFFAOYSA-N
XLogP1.30
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60959000
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60912110
2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide
CID 115640458
N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60959564
5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 63693578
N-methyl-N-pent-4-enylmethanesulfonamide
CID 115640453
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929638
methyl 4-amino-2-[methyl(pent-4-enyl)sulfamoyl]benzoate
CID 102931695
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929716
4-bromo-3-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654987

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide (CID 115640454) is N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide is C=CCCCN(C)S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MJSTYRFKOVXGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-5-6-7-13(3)16(14,15)10-8-11-12-9(10)2/h4,8H,1,5-7H2,2-3H3,(H,11,12).
What are the key properties of N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide?
N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115640454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).