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

C9H17N3O3S — CID 115650780

IUPACN-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H17N3O3S/c1-7-8(5-10-12-7)16(13,14)11-6-9(2,3)15-4/h5,11H,6H2,1-4H3,(H,10,12)
InChIKeyAEGGOPGIGDDJPC-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.42
Rot. Bonds5

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

N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 115650780) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID115650780
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H17N3O3S/c1-7-8(5-10-12-7)16(13,14)11-6-9(2,3)15-4/h5,11H,6H2,1-4H3,(H,10,12)
InChIKeyAEGGOPGIGDDJPC-UHFFFAOYSA-N
XLogP0.42
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 104758545
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430
N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119999938
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 115427439
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-5-sulfonamide
CID 114142090
N-[2-(chloromethyl)-2-ethylbutyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106256173
N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide
CID 104873862
N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114149847
5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 61249309
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate
CID 61274855
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114142092

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 115650780) is N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide is COC(C)(C)CNS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is AEGGOPGIGDDJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-7-8(5-10-12-7)16(13,14)11-6-9(2,3)15-4/h5,11H,6H2,1-4H3,(H,10,12).
What are the key properties of N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115650780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).