3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide

C13H24N4O2S — CID 60919717

IUPAC3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCC2CCCC2)c(N)n1
InChIInChI=1S/C13H24N4O2S/c1-2-9-17-10-12(13(14)16-17)20(18,19)15-8-7-11-5-3-4-6-11/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyUYAZGBGYRKOWSF-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.73
Rot. Bonds7

About 3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 60919717) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
PubChem CID60919717
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCC2CCCC2)c(N)n1
InChIInChI=1S/C13H24N4O2S/c1-2-9-17-10-12(13(14)16-17)20(18,19)15-8-7-11-5-3-4-6-11/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyUYAZGBGYRKOWSF-UHFFFAOYSA-N
XLogP1.73
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
CID 63242905
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106022301
3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115515192
3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
CID 61125115
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-N-(1-methylpyrrolidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61462052
3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
CID 113464453
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide
CID 107843691
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809447

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide (CID 60919717) is 3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCCC2CCCC2)c(N)n1.
What is the InChIKey of 3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is UYAZGBGYRKOWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-2-9-17-10-12(13(14)16-17)20(18,19)15-8-7-11-5-3-4-6-11/h10-11,15H,2-9H2,1H3,(H2,14,16).
What are the key properties of 3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 60919717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).