3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide

C10H18N4O2S — CID 113480784

IUPAC3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide
SMILESC=CC(C)NS(=O)(=O)c1cn(CCC)nc1N
InChIInChI=1S/C10H18N4O2S/c1-4-6-14-7-9(10(11)12-14)17(15,16)13-8(3)5-2/h5,7-8,13H,2,4,6H2,1,3H3,(H2,11,12)
InChIKeyJKEAJWHLQILKCO-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.73
Rot. Bonds6

About 3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide

3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide (PubChem CID 113480784) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide
PubChem CID113480784
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide
SMILESC=CC(C)NS(=O)(=O)c1cn(CCC)nc1N
InChIInChI=1S/C10H18N4O2S/c1-4-6-14-7-9(10(11)12-14)17(15,16)13-8(3)5-2/h5,7-8,13H,2,4,6H2,1,3H3,(H2,11,12)
InChIKeyJKEAJWHLQILKCO-UHFFFAOYSA-N
XLogP0.73
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide (CID 113480784) is 3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide is C=CC(C)NS(=O)(=O)c1cn(CCC)nc1N.
What is the InChIKey of 3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide?
The InChIKey is JKEAJWHLQILKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-4-6-14-7-9(10(11)12-14)17(15,16)13-8(3)5-2/h5,7-8,13H,2,4,6H2,1,3H3,(H2,11,12).
What are the key properties of 3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide?
3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 113480784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).