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

C15H19N5O2S — CID 59339351

IUPACN-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(C#N)c1)N1CC(CC)C=N1
InChIInChI=1S/C15H19N5O2S/c1-3-12-10-18-20(11-12)15(17-4-2)19-23(21,22)14-7-5-6-13(8-14)9-16/h5-8,10,12H,3-4,11H2,1-2H3,(H,17,19)
InChIKeyJVJRAZOUFXKRSO-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.54
Rot. Bonds4

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

N-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 59339351) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID59339351
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(C#N)c1)N1CC(CC)C=N1
InChIInChI=1S/C15H19N5O2S/c1-3-12-10-18-20(11-12)15(17-4-2)19-23(21,22)14-7-5-6-13(8-14)9-16/h5-8,10,12H,3-4,11H2,1-2H3,(H,17,19)
InChIKeyJVJRAZOUFXKRSO-UHFFFAOYSA-N
XLogP1.54
TPSA97.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1,3-benzothiazol-6-ylsulfonyl)-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339452
N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339487
cis-(1S,2R)-N-(3-cyanophenyl)sulfonyl-2-ethoxycyclopropane-1-carboxamide
CID 95306950
trans-(1S,2S)-N-(3-cyanophenyl)sulfonyl-2-ethoxycyclopropane-1-carboxamide
CID 95306951
2-butylsulfanyl-N-(3-cyanophenyl)sulfonylpropanamide
CID 51089859
4-[(3-cyanophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540461
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
3-cyano-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994464
3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide
CID 62407232
3-cyano-N-(3-cyanopentan-3-yl)benzenesulfonamide
CID 61122321
3-cyano-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7510319
3-cyano-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 62522313

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of N-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide (CID 59339351) is N-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for N-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for N-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1cccc(C#N)c1)N1CC(CC)C=N1.
What is the InChIKey of N-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is JVJRAZOUFXKRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-3-12-10-18-20(11-12)15(17-4-2)19-23(21,22)14-7-5-6-13(8-14)9-16/h5-8,10,12H,3-4,11H2,1-2H3,(H,17,19).
What are the key properties of N-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
N-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 333.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 59339351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).