N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide

C8H13N3O3S — CID 102691239

IUPACN-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)C(=O)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H13N3O3S/c1-6(2)7(12)5-10-15(13,14)8-3-4-9-11-8/h3-4,6,10H,5H2,1-2H3,(H,9,11)
InChIKeyYNKBJSLBMPVKAR-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.09
Rot. Bonds5

About N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide

N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691239) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691239
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC NameN-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)C(=O)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H13N3O3S/c1-6(2)7(12)5-10-15(13,14)8-3-4-9-11-8/h3-4,6,10H,5H2,1-2H3,(H,9,11)
InChIKeyYNKBJSLBMPVKAR-UHFFFAOYSA-N
XLogP-0.09
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
CID 102690942
N-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide
CID 102691693
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
N-(3-ethyl-2-hydroxypentyl)-1H-pyrazole-5-sulfonamide
CID 114168833
N-(2-hydroxypentyl)-1H-pyrazole-5-sulfonamide
CID 102693400
N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106352662
3-methyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690644
N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693440
N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692436

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide (CID 102691239) is N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide is CC(C)C(=O)CNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is YNKBJSLBMPVKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-6(2)7(12)5-10-15(13,14)8-3-4-9-11-8/h3-4,6,10H,5H2,1-2H3,(H,9,11).
What are the key properties of N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide?
N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).