3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide

C11H16N4O2S2 — CID 60814017

IUPAC3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2cccs2)c(N)n1
InChIInChI=1S/C11H16N4O2S2/c1-2-15-8-10(11(12)14-15)19(16,17)13-6-5-9-4-3-7-18-9/h3-4,7-8,13H,2,5-6H2,1H3,(H2,12,14)
InChIKeyQFDCJWWFSYOXAA-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.07
Rot. Bonds6

About 3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide (PubChem CID 60814017) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
PubChem CID60814017
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2cccs2)c(N)n1
InChIInChI=1S/C11H16N4O2S2/c1-2-15-8-10(11(12)14-15)19(16,17)13-6-5-9-4-3-7-18-9/h3-4,7-8,13H,2,5-6H2,1H3,(H2,12,14)
InChIKeyQFDCJWWFSYOXAA-UHFFFAOYSA-N
XLogP1.07
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
CID 60814018
3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809082
3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide
CID 60895719
3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809119
3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 61111603
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
CID 115405368
3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 60813353
5-amino-4-bromo-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 114624888

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide (CID 60814017) is 3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2cccs2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is QFDCJWWFSYOXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-2-15-8-10(11(12)14-15)19(16,17)13-6-5-9-4-3-7-18-9/h3-4,7-8,13H,2,5-6H2,1H3,(H2,12,14).
What are the key properties of 3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60814017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).