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

C15H22N4O2S — CID 56595669

IUPACN',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(C)c1)N1CC(CC)C=N1
InChIInChI=1S/C15H22N4O2S/c1-4-13-10-17-19(11-13)15(16-5-2)18-22(20,21)14-8-6-7-12(3)9-14/h6-10,13H,4-5,11H2,1-3H3,(H,16,18)
InChIKeyDXYCXZTUUILQEE-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.98
Rot. Bonds4

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

N',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 56595669) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound NameN',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID56595669
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(C)c1)N1CC(CC)C=N1
InChIInChI=1S/C15H22N4O2S/c1-4-13-10-17-19(11-13)15(16-5-2)18-22(20,21)14-8-6-7-12(3)9-14/h6-10,13H,4-5,11H2,1-3H3,(H,16,18)
InChIKeyDXYCXZTUUILQEE-UHFFFAOYSA-N
XLogP1.98
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 56593646
N',4-diethyl-N-naphthalen-2-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 56593647
N',4-diethyl-N-(4-methylsulfonylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 56593800
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-(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 N',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of N',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide (CID 56595669) is N',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for N',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for N',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1cccc(C)c1)N1CC(CC)C=N1.
What is the InChIKey of N',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is DXYCXZTUUILQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-4-13-10-17-19(11-13)15(16-5-2)18-22(20,21)14-8-6-7-12(3)9-14/h6-10,13H,4-5,11H2,1-3H3,(H,16,18).
What are the key properties of N',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
N',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 322.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-diethyl-N-(3-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 56595669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).