N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide

C8H12N6O2S — CID 115319829

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide
SMILESNc1cnn(CCNS(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C8H12N6O2S/c9-7-3-12-14(5-7)2-1-13-17(15,16)8-4-10-6-11-8/h3-6,13H,1-2,9H2,(H,10,11)
InChIKeyLBTWTQWWAVNEQF-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.83
Rot. Bonds5

About N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide (PubChem CID 115319829) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide
PubChem CID115319829
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide
SMILESNc1cnn(CCNS(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C8H12N6O2S/c9-7-3-12-14(5-7)2-1-13-17(15,16)8-4-10-6-11-8/h3-6,13H,1-2,9H2,(H,10,11)
InChIKeyLBTWTQWWAVNEQF-UHFFFAOYSA-N
XLogP-0.83
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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]propane-1-sulfonamide
CID 115319872
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide
CID 115319879
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115319875
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
N-[2-(ethylsulfamoyl)ethyl]-1H-imidazole-5-sulfonamide
CID 103680432
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730
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
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
CID 104600676

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide (CID 115319829) is N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide is Nc1cnn(CCNS(=O)(=O)c2cnc[nH]2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide?
The InChIKey is LBTWTQWWAVNEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c9-7-3-12-14(5-7)2-1-13-17(15,16)8-4-10-6-11-8/h3-6,13H,1-2,9H2,(H,10,11).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 115319829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).