2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide

C9H16N4O3S — CID 43215038

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(=O)N(C)C
InChIInChI=1S/C9H16N4O3S/c1-6-9(7(2)12-11-6)17(15,16)10-5-8(14)13(3)4/h10H,5H2,1-4H3,(H,11,12)
InChIKeyHBZCWIQPEUJMFY-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.61
Rot. Bonds4

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide (PubChem CID 43215038) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
PubChem CID43215038
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(=O)N(C)C
InChIInChI=1S/C9H16N4O3S/c1-6-9(7(2)12-11-6)17(15,16)10-5-8(14)13(3)4/h10H,5H2,1-4H3,(H,11,12)
InChIKeyHBZCWIQPEUJMFY-UHFFFAOYSA-N
XLogP-0.61
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427468
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 112997690
N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
CID 112996749
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate
CID 113001785
N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113053846
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443
N-tert-butyl-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113056669
3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide
CID 115901933
N-(2-amino-3-hydroxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64540635

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide (CID 43215038) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC(=O)N(C)C.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide?
The InChIKey is HBZCWIQPEUJMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-6-9(7(2)12-11-6)17(15,16)10-5-8(14)13(3)4/h10H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide has a molecular weight of 260.32 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43215038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).