3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide

C11H21N3O2S — CID 16767763

IUPAC3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3O2S/c1-5-7-14(8-6-2)17(15,16)11-9(3)12-13-10(11)4/h5-8H2,1-4H3,(H,12,13)
InChIKeyLEUFLJZOTDHSIK-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.84
Rot. Bonds6

About 3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide (PubChem CID 16767763) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide
PubChem CID16767763
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3O2S/c1-5-7-14(8-6-2)17(15,16)11-9(3)12-13-10(11)4/h5-8H2,1-4H3,(H,12,13)
InChIKeyLEUFLJZOTDHSIK-UHFFFAOYSA-N
XLogP1.84
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide (CID 16767763) is 3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide is CCCN(CCC)S(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LEUFLJZOTDHSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-5-7-14(8-6-2)17(15,16)11-9(3)12-13-10(11)4/h5-8H2,1-4H3,(H,12,13).
What are the key properties of 3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 16767763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).