3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide

C13H25N5O2S — CID 61170162

IUPAC3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2CCCN(CC)C2)c(N)n1
InChIInChI=1S/C13H25N5O2S/c1-3-7-18-10-12(13(14)15-18)21(19,20)16-11-6-5-8-17(4-2)9-11/h10-11,16H,3-9H2,1-2H3,(H2,14,15)
InChIKeyPFIGGWAAXDMLHJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.64
Rot. Bonds6

About 3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide (PubChem CID 61170162) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide
PubChem CID61170162
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2CCCN(CC)C2)c(N)n1
InChIInChI=1S/C13H25N5O2S/c1-3-7-18-10-12(13(14)15-18)21(19,20)16-11-6-5-8-17(4-2)9-11/h10-11,16H,3-9H2,1-2H3,(H2,14,15)
InChIKeyPFIGGWAAXDMLHJ-UHFFFAOYSA-N
XLogP0.64
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
3-amino-N-(1-methylpyrrolidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61462052
3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
CID 60808927
3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358663
3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide
CID 64656103
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106022301
3-amino-N-(2-methyloxolan-3-yl)-1-propylpyrazole-4-sulfonamide
CID 82725524
4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61169182
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
CID 81242229
3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide
CID 113485263
3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
CID 60919717
3-amino-N-(1-ethylpiperidin-3-yl)pyridine-2-sulfonamide
CID 103305213

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide (CID 61170162) is 3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NC2CCCN(CC)C2)c(N)n1.
What is the InChIKey of 3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is PFIGGWAAXDMLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-3-7-18-10-12(13(14)15-18)21(19,20)16-11-6-5-8-17(4-2)9-11/h10-11,16H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 61170162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).