N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide

C9H14N4O2S — CID 55210793

IUPACN-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
SMILESCCN(CCC#N)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C9H14N4O2S/c1-3-13(6-4-5-10)16(14,15)9-7-11-12(2)8-9/h7-8H,3-4,6H2,1-2H3
InChIKeyVWLKIMVXRADXRC-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.34
Rot. Bonds5

About N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide

N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide (PubChem CID 55210793) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
PubChem CID55210793
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
SMILESCCN(CCC#N)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C9H14N4O2S/c1-3-13(6-4-5-10)16(14,15)9-7-11-12(2)8-9/h7-8H,3-4,6H2,1-2H3
InChIKeyVWLKIMVXRADXRC-UHFFFAOYSA-N
XLogP0.34
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide (CID 55210793) is N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide is CCN(CCC#N)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide?
The InChIKey is VWLKIMVXRADXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-3-13(6-4-5-10)16(14,15)9-7-11-12(2)8-9/h7-8H,3-4,6H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide?
N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide has a molecular weight of 242.30 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 55210793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).