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

C15H21FN4O2S — CID 59339379

IUPACN',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cc(F)ccc1C)N1CC(CC)C=N1
InChIInChI=1S/C15H21FN4O2S/c1-4-12-9-18-20(10-12)15(17-5-2)19-23(21,22)14-8-13(16)7-6-11(14)3/h6-9,12H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyFBKWMTHODYTRSO-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.12
Rot. Bonds4

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

N',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 59339379) has the molecular formula C15H21FN4O2S and a molecular weight of 340.42 g/mol. Its IUPAC name is N',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound NameN',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID59339379
Molecular FormulaC15H21FN4O2S
Molecular Weight340.42 g/mol
Exact Mass340.14
IUPAC NameN',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cc(F)ccc1C)N1CC(CC)C=N1
InChIInChI=1S/C15H21FN4O2S/c1-4-12-9-18-20(10-12)15(17-5-2)19-23(21,22)14-8-13(16)7-6-11(14)3/h6-9,12H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyFBKWMTHODYTRSO-UHFFFAOYSA-N
XLogP2.12
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of N',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of N',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide (CID 59339379) is N',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for N',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for N',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1cc(F)ccc1C)N1CC(CC)C=N1.
What is the InChIKey of N',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is FBKWMTHODYTRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2S/c1-4-12-9-18-20(10-12)15(17-5-2)19-23(21,22)14-8-13(16)7-6-11(14)3/h6-9,12H,4-5,10H2,1-3H3,(H,17,19).
What are the key properties of N',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide?
N',4-diethyl-N-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 340.42 g/mol, XLogP of 2.12, 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-(5-fluoro-2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 59339379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).