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

C14H19FN4O2S — CID 59339315

IUPACN',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1ccccc1F)N1CC(CC)C=N1
InChIInChI=1S/C14H19FN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-8-6-5-7-12(13)15/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)
InChIKeyFCWHQZLFPIZNLC-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.81
Rot. Bonds4

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

N',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 59339315) has the molecular formula C14H19FN4O2S and a molecular weight of 326.40 g/mol. Its IUPAC name is N',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound NameN',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID59339315
Molecular FormulaC14H19FN4O2S
Molecular Weight326.40 g/mol
Exact Mass326.12
IUPAC NameN',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1ccccc1F)N1CC(CC)C=N1
InChIInChI=1S/C14H19FN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-8-6-5-7-12(13)15/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)
InChIKeyFCWHQZLFPIZNLC-UHFFFAOYSA-N
XLogP1.81
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.81
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-(2-Chlorobenzene-1-sulfonyl)-N',4-diethyl-4,5-dihydro-1H-pyrazole-1-carboximidamide
CID 24855787
N-(3-chloro-2-fluorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56593645
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-(3-chlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56595402
N-(3-chlorophenyl)sulfonyl-4-ethyl-N'-propyl-3,4-dihydropyrazole-2-carboximidamide
CID 56595403
N-(3-chlorophenyl)sulfonyl-4-ethyl-N'-methyl-3,4-dihydropyrazole-2-carboximidamide
CID 56595404
N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-methyl-3,4-dihydropyrazole-2-carboximidamide
CID 56595406
N-(4-chlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56595666
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

Frequently Asked Questions

What is the IUPAC name of N',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of N',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide (CID 59339315) is N',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for N',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for N',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1ccccc1F)N1CC(CC)C=N1.
What is the InChIKey of N',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is FCWHQZLFPIZNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-8-6-5-7-12(13)15/h5-9,11H,3-4,10H2,1-2H3,(H,16,18).
What are the key properties of N',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
N',4-diethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 326.40 g/mol, XLogP of 1.81, 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-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 59339315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).