3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide

C10H16N4O2S — CID 113464453

IUPAC3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
SMILESCC#CCNS(=O)(=O)c1cn(CCC)nc1N
InChIInChI=1S/C10H16N4O2S/c1-3-5-6-12-17(15,16)9-8-14(7-4-2)13-10(9)11/h8,12H,4,6-7H2,1-2H3,(H2,11,13)
InChIKeyHKAYCCDWWQFXBN-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.18
Rot. Bonds5

About 3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide

3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide (PubChem CID 113464453) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
PubChem CID113464453
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
SMILESCC#CCNS(=O)(=O)c1cn(CCC)nc1N
InChIInChI=1S/C10H16N4O2S/c1-3-5-6-12-17(15,16)9-8-14(7-4-2)13-10(9)11/h8,12H,4,6-7H2,1-2H3,(H2,11,13)
InChIKeyHKAYCCDWWQFXBN-UHFFFAOYSA-N
XLogP0.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
CID 61125115
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809447
3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
CID 63242905
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
3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
CID 60919717
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide
CID 107843691
3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106369265
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106022301

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide (CID 113464453) is 3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide is CC#CCNS(=O)(=O)c1cn(CCC)nc1N.
What is the InChIKey of 3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide?
The InChIKey is HKAYCCDWWQFXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-3-5-6-12-17(15,16)9-8-14(7-4-2)13-10(9)11/h8,12H,4,6-7H2,1-2H3,(H2,11,13).
What are the key properties of 3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide?
3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 113464453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).