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

C9H18N4O2S — CID 102694126

IUPACN-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(CCN)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H18N4O2S/c1-2-8(3-5-10)7-12-16(14,15)9-4-6-11-13-9/h4,6,8,12H,2-3,5,7,10H2,1H3,(H,11,13)
InChIKeyDDWLKLSPJJKQCM-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.06
Rot. Bonds7

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

N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102694126) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide
PubChem CID102694126
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(CCN)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H18N4O2S/c1-2-8(3-5-10)7-12-16(14,15)9-4-6-11-13-9/h4,6,8,12H,2-3,5,7,10H2,1H3,(H,11,13)
InChIKeyDDWLKLSPJJKQCM-UHFFFAOYSA-N
XLogP0.06
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypentyl)-1H-pyrazole-5-sulfonamide
CID 102693400
N-(3-ethyl-2-hydroxypentyl)-1H-pyrazole-5-sulfonamide
CID 114168833
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806
N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide
CID 107158984
N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399
4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
CID 102690942
N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide
CID 102691239
N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694134
N-(1-amino-2-methylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102690411

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide (CID 102694126) is N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide is CCC(CCN)CNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is DDWLKLSPJJKQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-2-8(3-5-10)7-12-16(14,15)9-4-6-11-13-9/h4,6,8,12H,2-3,5,7,10H2,1H3,(H,11,13).
What are the key properties of N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide?
N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102694126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).