N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H19N3O3S — CID 103931269

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C10H19N3O3S/c1-7-8(6-11-12-7)17(15,16)13-9(2,3)10(4,5)14/h6,13-14H,1-5H3,(H,11,12)
InChIKeyDJWWLYYMIRKOLQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.55
Rot. Bonds4

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 103931269) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID103931269
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C10H19N3O3S/c1-7-8(6-11-12-7)17(15,16)13-9(2,3)10(4,5)14/h6,13-14H,1-5H3,(H,11,12)
InChIKeyDJWWLYYMIRKOLQ-UHFFFAOYSA-N
XLogP0.55
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-bromo-2-(bromomethyl)butan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 107868336
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 115427439
5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115621438
5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60910712
N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940
tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate
CID 81005814
N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119999938
N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115650780
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 106185722
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide
CID 64973901

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 103931269) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC(C)(C)C(C)(C)O.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is DJWWLYYMIRKOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-7-8(6-11-12-7)17(15,16)13-9(2,3)10(4,5)14/h6,13-14H,1-5H3,(H,11,12).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 103931269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).