N',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide

C18H22N4O2S — CID 56593646

IUPACN',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc2ccccc12)N1CC(CC)C=N1
InChIInChI=1S/C18H22N4O2S/c1-3-14-12-20-22(13-14)18(19-4-2)21-25(23,24)17-11-7-9-15-8-5-6-10-16(15)17/h5-12,14H,3-4,13H2,1-2H3,(H,19,21)
InChIKeyUTCBGRDLKHYAOT-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.82
Rot. Bonds4

About N',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide

N',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 56593646) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound NameN',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID56593646
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc2ccccc12)N1CC(CC)C=N1
InChIInChI=1S/C18H22N4O2S/c1-3-14-12-20-22(13-14)18(19-4-2)21-25(23,24)17-11-7-9-15-8-5-6-10-16(15)17/h5-12,14H,3-4,13H2,1-2H3,(H,19,21)
InChIKeyUTCBGRDLKHYAOT-UHFFFAOYSA-N
XLogP2.82
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.82
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-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of N',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide (CID 56593646) is N',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for N',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for N',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1cccc2ccccc12)N1CC(CC)C=N1.
What is the InChIKey of N',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is UTCBGRDLKHYAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-3-14-12-20-22(13-14)18(19-4-2)21-25(23,24)17-11-7-9-15-8-5-6-10-16(15)17/h5-12,14H,3-4,13H2,1-2H3,(H,19,21).
What are the key properties of N',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide?
N',4-diethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 358.47 g/mol, XLogP of 2.82, 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-naphthalen-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 56593646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).