2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide

C11H21N5O3S — CID 60809447

IUPAC2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1cn(CCC)nc1N
InChIInChI=1S/C11H21N5O3S/c1-3-5-13-10(17)7-14-20(18,19)9-8-16(6-4-2)15-11(9)12/h8,14H,3-7H2,1-2H3,(H2,12,15)(H,13,17)
InChIKeyWGBULRYJGGMOQG-UHFFFAOYSA-N
MW303.39 g/mol
LogP-0.32
Rot. Bonds8

About 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide

2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide (PubChem CID 60809447) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide
PubChem CID60809447
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1cn(CCC)nc1N
InChIInChI=1S/C11H21N5O3S/c1-3-5-13-10(17)7-14-20(18,19)9-8-16(6-4-2)15-11(9)12/h8,14H,3-7H2,1-2H3,(H2,12,15)(H,13,17)
InChIKeyWGBULRYJGGMOQG-UHFFFAOYSA-N
XLogP-0.32
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
CID 113464453
3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
CID 61125115
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide
CID 104758504
3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide
CID 80683751
3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115515192
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide
CID 60810102
3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
CID 60919717
2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809282
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide
CID 107843691
3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
CID 63242905
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106369265

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide (CID 60809447) is 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1cn(CCC)nc1N.
What is the InChIKey of 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide?
The InChIKey is WGBULRYJGGMOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-3-5-13-10(17)7-14-20(18,19)9-8-16(6-4-2)15-11(9)12/h8,14H,3-7H2,1-2H3,(H2,12,15)(H,13,17).
What are the key properties of 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide?
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide has a molecular weight of 303.39 g/mol, XLogP of -0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 60809447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).