N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H21N3O3S — CID 103914904

IUPACN-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOCCCCCNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3O3S/c1-9-11(10(2)14-13-9)18(15,16)12-7-5-4-6-8-17-3/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyCOOOTHNSPACMPI-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.12
Rot. Bonds8

About N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 103914904) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID103914904
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOCCCCCNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3O3S/c1-9-11(10(2)14-13-9)18(15,16)12-7-5-4-6-8-17-3/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyCOOOTHNSPACMPI-UHFFFAOYSA-N
XLogP1.12
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106245504
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574816
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-(4-azidobutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106387054
N-[3-(4-methoxyphenyl)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110288674
N-[4-(2-methoxyphenyl)butyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110409207
N-(3-methoxypropyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 19059821
N-[2-(cyclopropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62665350
N-(5-methoxypentyl)methanesulfonamide
CID 103632034

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 103914904) is N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COCCCCCNS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is COOOTHNSPACMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-9-11(10(2)14-13-9)18(15,16)12-7-5-4-6-8-17-3/h12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 103914904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).