1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide

C11H14N4O2S — CID 19683256

IUPAC1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccncc2)cn1
InChIInChI=1S/C11H14N4O2S/c1-2-15-9-11(8-13-15)18(16,17)14-7-10-3-5-12-6-4-10/h3-6,8-9,14H,2,7H2,1H3
InChIKeyIDYNZKAQCXDLSS-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.78
Rot. Bonds5

About 1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide

1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 19683256) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
PubChem CID19683256
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccncc2)cn1
InChIInChI=1S/C11H14N4O2S/c1-2-15-9-11(8-13-15)18(16,17)14-7-10-3-5-12-6-4-10/h3-6,8-9,14H,2,7H2,1H3
InChIKeyIDYNZKAQCXDLSS-UHFFFAOYSA-N
XLogP0.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 19582268
1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 6470938
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
CID 154787180
N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 19680759
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
N-[(3-bromo-1,2-oxazol-5-yl)methyl]-1-ethylpyrazole-4-sulfonamide
CID 126823213
6-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62150311
1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide
CID 71911354
5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 82222898
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-[3-(methylamino)propyl]-N-(pyrimidin-4-ylmethyl)pyrazole-4-sulfonamide
CID 106092563

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide (CID 19683256) is 1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2ccncc2)cn1.
What is the InChIKey of 1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is IDYNZKAQCXDLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-15-9-11(8-13-15)18(16,17)14-7-10-3-5-12-6-4-10/h3-6,8-9,14H,2,7H2,1H3.
What are the key properties of 1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19683256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).