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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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).