5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide

C12H16N4O2S — CID 61076203

IUPAC5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C12H16N4O2S/c1-3-16(10-6-4-5-9(2)7-10)19(17,18)11-8-14-15-12(11)13/h4-8H,3H2,1-2H3,(H3,13,14,15)
InChIKeyFSKXUNGNZBAINJ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.52
Rot. Bonds4

About 5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61076203) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID61076203
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C12H16N4O2S/c1-3-16(10-6-4-5-9(2)7-10)19(17,18)11-8-14-15-12(11)13/h4-8H,3H2,1-2H3,(H3,13,14,15)
InChIKeyFSKXUNGNZBAINJ-UHFFFAOYSA-N
XLogP1.52
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide (CID 61076203) is 5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is FSKXUNGNZBAINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-16(10-6-4-5-9(2)7-10)19(17,18)11-8-14-15-12(11)13/h4-8H,3H2,1-2H3,(H3,13,14,15).
What are the key properties of 5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61076203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).