4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide

C13H18N4O2S — CID 59339460

IUPAC4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCCC1C=NN(/C(N)=N/S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C13H18N4O2S/c1-3-11-8-15-17(9-11)13(14)16-20(18,19)12-6-4-10(2)5-7-12/h4-8,11H,3,9H2,1-2H3,(H2,14,16)
InChIKeyUBIUXCATMYAUMI-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.33
Rot. Bonds3

About 4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide

4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 59339460) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound Name4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID59339460
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCCC1C=NN(/C(N)=N/S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C13H18N4O2S/c1-3-11-8-15-17(9-11)13(14)16-20(18,19)12-6-4-10(2)5-7-12/h4-8,11H,3,9H2,1-2H3,(H2,14,16)
InChIKeyUBIUXCATMYAUMI-UHFFFAOYSA-N
XLogP1.33
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N',4-diethyl-N-naphthalen-2-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 56593647
N-(benzenesulfonyl)-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide
CID 56593936
N-(benzenesulfonyl)-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56595280
N',4-diethyl-N-(3-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 56595667
N',4-diethyl-N-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 56595668
N',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 56595669
Glipalamide
CID 65802
N',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339315
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339318
N',4-diethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339331
N',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339379
N',4-diethyl-N-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339447

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of 4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide (CID 59339460) is 4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for 4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for 4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide is CCC1C=NN(/C(N)=N/S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is UBIUXCATMYAUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-11-8-15-17(9-11)13(14)16-20(18,19)12-6-4-10(2)5-7-12/h4-8,11H,3,9H2,1-2H3,(H2,14,16).
What are the key properties of 4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 294.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 59339460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).