N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

C8H15N3O2S — CID 43263710

IUPACN-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C8H15N3O2S/c1-5-11(4)14(12,13)8-6(2)9-10-7(8)3/h5H2,1-4H3,(H,9,10)
InChIKeyUQRNEGSLXZOVMP-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.67
Rot. Bonds3

About N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 43263710) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
PubChem CID43263710
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C8H15N3O2S/c1-5-11(4)14(12,13)8-6(2)9-10-7(8)3/h5H2,1-4H3,(H,9,10)
InChIKeyUQRNEGSLXZOVMP-UHFFFAOYSA-N
XLogP0.67
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (CID 43263710) is N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is CCN(C)S(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is UQRNEGSLXZOVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-5-11(4)14(12,13)8-6(2)9-10-7(8)3/h5H2,1-4H3,(H,9,10).
What are the key properties of N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43263710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).