N-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide

C16H24N4O2S — CID 59339448

IUPACN-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cc(C)cc(C)c1)N1CC(CC)C=N1
InChIInChI=1S/C16H24N4O2S/c1-5-14-10-18-20(11-14)16(17-6-2)19-23(21,22)15-8-12(3)7-13(4)9-15/h7-10,14H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyROAWRGMRDZMCFZ-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.29
Rot. Bonds4

About N-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide

N-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 59339448) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID59339448
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cc(C)cc(C)c1)N1CC(CC)C=N1
InChIInChI=1S/C16H24N4O2S/c1-5-14-10-18-20(11-14)16(17-6-2)19-23(21,22)15-8-12(3)7-13(4)9-15/h7-10,14H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyROAWRGMRDZMCFZ-UHFFFAOYSA-N
XLogP2.29
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.29
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-(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
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
N',4-diethyl-N-(2,4,5-trifluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339450

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of N-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide (CID 59339448) is N-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for N-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1cc(C)cc(C)c1)N1CC(CC)C=N1.
What is the InChIKey of N-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is ROAWRGMRDZMCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-5-14-10-18-20(11-14)16(17-6-2)19-23(21,22)15-8-12(3)7-13(4)9-15/h7-10,14H,5-6,11H2,1-4H3,(H,17,19).
What are the key properties of N-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
N-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 336.46 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 59339448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).