5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide

C9H17N3O3S — CID 104600711

IUPAC5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C9H17N3O3S/c1-7(2)15-5-4-11-16(13,14)9-6-10-12-8(9)3/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyHLMUDPSYBRZRCK-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.42
Rot. Bonds6

About 5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 104600711) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
PubChem CID104600711
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C9H17N3O3S/c1-7(2)15-5-4-11-16(13,14)9-6-10-12-8(9)3/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyHLMUDPSYBRZRCK-UHFFFAOYSA-N
XLogP0.42
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 113258245
5-methyl-N-[3-(propan-2-ylamino)propyl]-1H-pyrazole-4-sulfonamide
CID 54930150
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 61248904
N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114298151
methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate
CID 61274855
N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115650780
N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54932976
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430
3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 81067072

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide (CID 104600711) is 5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCCOC(C)C.
What is the InChIKey of 5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is HLMUDPSYBRZRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-7(2)15-5-4-11-16(13,14)9-6-10-12-8(9)3/h6-7,11H,4-5H2,1-3H3,(H,10,12).
What are the key properties of 5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 104600711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).