N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide

C9H17N3O2S — CID 62040706

IUPACN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C9H17N3O2S/c1-3-15(13,14)11-6-4-5-9-7-10-12-8(9)2/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyKGLRMEOKYYCUPK-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.59
Rot. Bonds6

About N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide (PubChem CID 62040706) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
PubChem CID62040706
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C9H17N3O2S/c1-3-15(13,14)11-6-4-5-9-7-10-12-8(9)2/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyKGLRMEOKYYCUPK-UHFFFAOYSA-N
XLogP0.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62038196
3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide
CID 63855885
3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
CID 114810051
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
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
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
4-bromo-2-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040495

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide?
The IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide (CID 62040706) is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide?
The canonical SMILES for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide is CCS(=O)(=O)NCCCc1cn[nH]c1C.
What is the InChIKey of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide?
The InChIKey is KGLRMEOKYYCUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-15(13,14)11-6-4-5-9-7-10-12-8(9)2/h7,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide?
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 62040706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).