N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide

C6H11N3O3S — CID 64973901

IUPACN-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCONS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C6H11N3O3S/c1-3-12-9-13(10,11)6-4-7-8-5(6)2/h4,9H,3H2,1-2H3,(H,7,8)
InChIKeyKIEORJAPXZYNTB-UHFFFAOYSA-N
MW205.24 g/mol
LogP-0.05
Rot. Bonds4

About N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide

N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 64973901) has the molecular formula C6H11N3O3S and a molecular weight of 205.24 g/mol. Its IUPAC name is N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID64973901
Molecular FormulaC6H11N3O3S
Molecular Weight205.24 g/mol
Exact Mass205.05
IUPAC NameN-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCONS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C6H11N3O3S/c1-3-12-9-13(10,11)6-4-7-8-5(6)2/h4,9H,3H2,1-2H3,(H,7,8)
InChIKeyKIEORJAPXZYNTB-UHFFFAOYSA-N
XLogP-0.05
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940
N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106288856
N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115650780
N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119999938
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430
N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114298151
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
N-[1-bromo-2-(bromomethyl)butan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 107868336
5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60910712
5-methyl-N-[3-(propan-2-ylamino)propyl]-1H-pyrazole-4-sulfonamide
CID 54930150
(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 104936012
N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930247

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide (CID 64973901) is N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide is CCONS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is KIEORJAPXZYNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S/c1-3-12-9-13(10,11)6-4-7-8-5(6)2/h4,9H,3H2,1-2H3,(H,7,8).
What are the key properties of N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide?
N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 205.24 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 64973901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).