N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride

C10H21ClN4O2S — CID 119999938

IUPACN-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1cn[nH]c1C.Cl
InChIInChI=1S/C10H20N4O2S.ClH/c1-4-10(11,5-2)7-13-17(15,16)9-6-12-14-8(9)3;/h6,13H,4-5,7,11H2,1-3H3,(H,12,14);1H
InChIKeyFSYBSPKKMFILNI-UHFFFAOYSA-N
MW296.82 g/mol
LogP0.94
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride

N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride (PubChem CID 119999938) has the molecular formula C10H21ClN4O2S and a molecular weight of 296.82 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
PubChem CID119999938
Molecular FormulaC10H21ClN4O2S
Molecular Weight296.82 g/mol
Exact Mass296.11
IUPAC NameN-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1cn[nH]c1C.Cl
InChIInChI=1S/C10H20N4O2S.ClH/c1-4-10(11,5-2)7-13-17(15,16)9-6-12-14-8(9)3;/h6,13H,4-5,7,11H2,1-3H3,(H,12,14);1H
InChIKeyFSYBSPKKMFILNI-UHFFFAOYSA-N
XLogP0.94
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430
N-[2-(chloromethyl)-2-ethylbutyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106256173
N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115650780
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 115427439
N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114149847
N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide
CID 104873862
5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 61249309
5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide
CID 65102925
N-[1-bromo-2-(bromomethyl)butan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 107868336
N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114298151
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride (CID 119999938) is N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride is CCC(N)(CC)CNS(=O)(=O)c1cn[nH]c1C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is FSYBSPKKMFILNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S.ClH/c1-4-10(11,5-2)7-13-17(15,16)9-6-12-14-8(9)3;/h6,13H,4-5,7,11H2,1-3H3,(H,12,14);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 296.82 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119999938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).