N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride

C9H19ClN4O2S — CID 120708509

IUPACN-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
SMILESCCn1nccc1S(=O)(=O)NCCC(C)N.Cl
InChIInChI=1S/C9H18N4O2S.ClH/c1-3-13-9(5-6-11-13)16(14,15)12-7-4-8(2)10;/h5-6,8,12H,3-4,7,10H2,1-2H3;1H
InChIKeyLLVGFAQZJKLMFO-UHFFFAOYSA-N
MW282.80 g/mol
LogP0.34
Rot. Bonds6

About N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride

N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride (PubChem CID 120708509) has the molecular formula C9H19ClN4O2S and a molecular weight of 282.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
PubChem CID120708509
Molecular FormulaC9H19ClN4O2S
Molecular Weight282.80 g/mol
Exact Mass282.09
IUPAC NameN-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
SMILESCCn1nccc1S(=O)(=O)NCCC(C)N.Cl
InChIInChI=1S/C9H18N4O2S.ClH/c1-3-13-9(5-6-11-13)16(14,15)12-7-4-8(2)10;/h5-6,8,12H,3-4,7,10H2,1-2H3;1H
InChIKeyLLVGFAQZJKLMFO-UHFFFAOYSA-N
XLogP0.34
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120711476
2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide
CID 120713883
N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide
CID 120713079
2-ethyl-N-methylpyrazole-3-sulfonamide
CID 130637633
2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide
CID 120706370
N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide
CID 120712481
N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride
CID 120712297
N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119972317
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 82459830
2-ethyl-N,N-dimethylpyrazole-3-sulfonamide
CID 130703242
2-ethyl-N-[1-(4-methyl-2-pyridinyl)propyl]pyrazole-3-sulfonamide
CID 122556150

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride (CID 120708509) is N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride is CCn1nccc1S(=O)(=O)NCCC(C)N.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride?
The InChIKey is LLVGFAQZJKLMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S.ClH/c1-3-13-9(5-6-11-13)16(14,15)12-7-4-8(2)10;/h5-6,8,12H,3-4,7,10H2,1-2H3;1H.
What are the key properties of N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride?
N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride has a molecular weight of 282.80 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120708509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).