N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide

C8H14BrN3O2S — CID 114298151

IUPACN-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(C)CBr
InChIInChI=1S/C8H14BrN3O2S/c1-6(3-9)4-11-15(13,14)8-5-10-12-7(8)2/h5-6,11H,3-4H2,1-2H3,(H,10,12)
InChIKeyABYLUSTTZJVFMJ-UHFFFAOYSA-N
MW296.19 g/mol
LogP1.03
Rot. Bonds5

About N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 114298151) has the molecular formula C8H14BrN3O2S and a molecular weight of 296.19 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID114298151
Molecular FormulaC8H14BrN3O2S
Molecular Weight296.19 g/mol
Exact Mass295.00
IUPAC NameN-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(C)CBr
InChIInChI=1S/C8H14BrN3O2S/c1-6(3-9)4-11-15(13,14)8-5-10-12-7(8)2/h5-6,11H,3-4H2,1-2H3,(H,10,12)
InChIKeyABYLUSTTZJVFMJ-UHFFFAOYSA-N
XLogP1.03
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940
3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 81067072
(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 104936012
N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106288856
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
5-methyl-N-[3-(propan-2-ylamino)propyl]-1H-pyrazole-4-sulfonamide
CID 54930150
N-(3-bromo-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 114298119
N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119999938
2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 61248904
N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248522
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 114298151) is N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC(C)CBr.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ABYLUSTTZJVFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3O2S/c1-6(3-9)4-11-15(13,14)8-5-10-12-7(8)2/h5-6,11H,3-4H2,1-2H3,(H,10,12).
What are the key properties of N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 296.19 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114298151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).