N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide

C11H11IN4OS — CID 113385813

IUPACN'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide
SMILESCSc1cccc(-n2cc(I)cn2)c1/C(N)=N/O
InChIInChI=1S/C11H11IN4OS/c1-18-9-4-2-3-8(10(9)11(13)15-17)16-6-7(12)5-14-16/h2-6,17H,1H3,(H2,13,15)
InChIKeyFOIJJGVAWBCYDO-UHFFFAOYSA-N
MW374.21 g/mol
LogP2.29
Rot. Bonds3

About N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide

N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide (PubChem CID 113385813) has the molecular formula C11H11IN4OS and a molecular weight of 374.21 g/mol. Its IUPAC name is N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide
PubChem CID113385813
Molecular FormulaC11H11IN4OS
Molecular Weight374.21 g/mol
Exact Mass373.97
IUPAC NameN'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide
SMILESCSc1cccc(-n2cc(I)cn2)c1/C(N)=N/O
InChIInChI=1S/C11H11IN4OS/c1-18-9-4-2-3-8(10(9)11(13)15-17)16-6-7(12)5-14-16/h2-6,17H,1H3,(H2,13,15)
InChIKeyFOIJJGVAWBCYDO-UHFFFAOYSA-N
XLogP2.29
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide (CID 113385813) is N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide is CSc1cccc(-n2cc(I)cn2)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide?
The InChIKey is FOIJJGVAWBCYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4OS/c1-18-9-4-2-3-8(10(9)11(13)15-17)16-6-7(12)5-14-16/h2-6,17H,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide?
N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide has a molecular weight of 374.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 113385813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).