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

C12H18N4O2S2 — CID 60814018

IUPAC3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCc2cccs2)c(N)n1
InChIInChI=1S/C12H18N4O2S2/c1-2-7-16-9-11(12(13)15-16)20(17,18)14-6-5-10-4-3-8-19-10/h3-4,8-9,14H,2,5-7H2,1H3,(H2,13,15)
InChIKeyFWCABWLIMJPRLQ-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.46
Rot. Bonds7

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

3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide (PubChem CID 60814018) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
PubChem CID60814018
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCc2cccs2)c(N)n1
InChIInChI=1S/C12H18N4O2S2/c1-2-7-16-9-11(12(13)15-16)20(17,18)14-6-5-10-4-3-8-19-10/h3-4,8-9,14H,2,5-7H2,1H3,(H2,13,15)
InChIKeyFWCABWLIMJPRLQ-UHFFFAOYSA-N
XLogP1.46
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-ethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
CID 60814017
3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide
CID 80683751
3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
CID 61125115
3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115515192
3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
CID 60919717
3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
CID 113464453
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809447
3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide
CID 60814855
3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
CID 63242905
3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide
CID 104758504
3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60808427

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide (CID 60814018) is 3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCCc2cccs2)c(N)n1.
What is the InChIKey of 3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is FWCABWLIMJPRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-2-7-16-9-11(12(13)15-16)20(17,18)14-6-5-10-4-3-8-19-10/h3-4,8-9,14H,2,5-7H2,1H3,(H2,13,15).
What are the key properties of 3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60814018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).