N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide

C6H11N3O2S — CID 104620650

IUPACN-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCCc1cc(NS(C)(=O)=O)n[nH]1
InChIInChI=1S/C6H11N3O2S/c1-3-5-4-6(8-7-5)9-12(2,10)11/h4H,3H2,1-2H3,(H2,7,8,9)
InChIKeyJHZMWMDMLYXXLA-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.34
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide

N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 104620650) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID104620650
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCCc1cc(NS(C)(=O)=O)n[nH]1
InChIInChI=1S/C6H11N3O2S/c1-3-5-4-6(8-7-5)9-12(2,10)11/h4H,3H2,1-2H3,(H2,7,8,9)
InChIKeyJHZMWMDMLYXXLA-UHFFFAOYSA-N
XLogP0.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide (CID 104620650) is N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide is CCc1cc(NS(C)(=O)=O)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is JHZMWMDMLYXXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-3-5-4-6(8-7-5)9-12(2,10)11/h4H,3H2,1-2H3,(H2,7,8,9).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide?
N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 189.24 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 104620650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).