N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide

C6H10F2N4O2S — CID 115319879

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide
SMILESNc1cnn(CCNS(=O)(=O)C(F)F)c1
InChIInChI=1S/C6H10F2N4O2S/c7-6(8)15(13,14)11-1-2-12-4-5(9)3-10-12/h3-4,6,11H,1-2,9H2
InChIKeyYHAJIBIJTMNSFH-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.39
Rot. Bonds5

About N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide (PubChem CID 115319879) has the molecular formula C6H10F2N4O2S and a molecular weight of 240.23 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide
PubChem CID115319879
Molecular FormulaC6H10F2N4O2S
Molecular Weight240.23 g/mol
Exact Mass240.05
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide
SMILESNc1cnn(CCNS(=O)(=O)C(F)F)c1
InChIInChI=1S/C6H10F2N4O2S/c7-6(8)15(13,14)11-1-2-12-4-5(9)3-10-12/h3-4,6,11H,1-2,9H2
InChIKeyYHAJIBIJTMNSFH-UHFFFAOYSA-N
XLogP-0.39
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide
CID 115319872
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 113285935
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 115319861
N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 115319829
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115319875
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 114032446
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-methylsulfonylacetamide
CID 115319573
1-(4,4-difluorobutyl)pyrazol-4-amine
CID 165472720
ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate
CID 115319868
2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide
CID 115320081
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide
CID 106996486
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593209

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide (CID 115319879) is N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide is Nc1cnn(CCNS(=O)(=O)C(F)F)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide?
The InChIKey is YHAJIBIJTMNSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4O2S/c7-6(8)15(13,14)11-1-2-12-4-5(9)3-10-12/h3-4,6,11H,1-2,9H2.
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide has a molecular weight of 240.23 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 115319879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).