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

C11H19IN4O — CID 106711719

IUPACN'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCn1cc(I)cn1)/C(N)=N/O
InChIInChI=1S/C11H19IN4O/c1-11(2,10(13)15-17)5-3-4-6-16-8-9(12)7-14-16/h7-8,17H,3-6H2,1-2H3,(H2,13,15)
InChIKeyKMYDPMLSZRXQKF-UHFFFAOYSA-N
MW350.20 g/mol
LogP2.43
Rot. Bonds6

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

N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide (PubChem CID 106711719) has the molecular formula C11H19IN4O and a molecular weight of 350.20 g/mol. Its IUPAC name is N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide
PubChem CID106711719
Molecular FormulaC11H19IN4O
Molecular Weight350.20 g/mol
Exact Mass350.06
IUPAC NameN'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCn1cc(I)cn1)/C(N)=N/O
InChIInChI=1S/C11H19IN4O/c1-11(2,10(13)15-17)5-3-4-6-16-8-9(12)7-14-16/h7-8,17H,3-6H2,1-2H3,(H2,13,15)
InChIKeyKMYDPMLSZRXQKF-UHFFFAOYSA-N
XLogP2.43
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide (CID 106711719) is N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide is CC(C)(CCCCn1cc(I)cn1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide?
The InChIKey is KMYDPMLSZRXQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IN4O/c1-11(2,10(13)15-17)5-3-4-6-16-8-9(12)7-14-16/h7-8,17H,3-6H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide?
N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide has a molecular weight of 350.20 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).