N,N-dimethyl-1H-pyrazole-4-sulfonamide

C5H9N3O2S — CID 54594730

IUPACN,N-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7)
InChIKeyHEIPZBCMZXCIPT-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.34
Rot. Bonds2

About N,N-dimethyl-1H-pyrazole-4-sulfonamide

N,N-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 54594730) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is N,N-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID54594730
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC NameN,N-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7)
InChIKeyHEIPZBCMZXCIPT-UHFFFAOYSA-N
XLogP-0.34
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,N-dimethyl-1H-pyrazole-4-sulfonamide (CID 54594730) is N,N-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,N-dimethyl-1H-pyrazole-4-sulfonamide is CN(C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N,N-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is HEIPZBCMZXCIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7).
What are the key properties of N,N-dimethyl-1H-pyrazole-4-sulfonamide?
N,N-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 175.21 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54594730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).