3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine

C8H16N4O2S — CID 114810051

IUPAC3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
SMILESCNS(=O)(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C8H16N4O2S/c1-7-8(6-10-12-7)4-3-5-11-15(13,14)9-2/h6,9,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyHNKFAVSVJYSRSE-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.30
Rot. Bonds6

About 3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine

3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine (PubChem CID 114810051) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
PubChem CID114810051
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
SMILESCNS(=O)(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C8H16N4O2S/c1-7-8(6-10-12-7)4-3-5-11-15(13,14)9-2/h6,9,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyHNKFAVSVJYSRSE-UHFFFAOYSA-N
XLogP-0.30
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310
1,1,1-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040916
3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide
CID 63855885
2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62038196
1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040239
3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 62040309
4-bromo-2-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040495
5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
CID 62040501
2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040457
4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide
CID 106055228
2-(aminomethyl)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-3-sulfonamide
CID 106055239

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine?
The IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine (CID 114810051) is 3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine is CNS(=O)(=O)NCCCc1cn[nH]c1C.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine?
The InChIKey is HNKFAVSVJYSRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-7-8(6-10-12-7)4-3-5-11-15(13,14)9-2/h6,9,11H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine?
3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine has a molecular weight of 232.31 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine is sourced from PubChem (CID 114810051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).