6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide

C15H28N4O — CID 106711709

IUPAC6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCc1c(C)nn(CCCCC(C)(C)C(N)=NO)c1C
InChIInChI=1S/C15H28N4O/c1-6-13-11(2)17-19(12(13)3)10-8-7-9-15(4,5)14(16)18-20/h20H,6-10H2,1-5H3,(H2,16,18)
InChIKeyGQVCDZCWCDQFFR-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.01
Rot. Bonds7

About 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711709) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711709
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCc1c(C)nn(CCCCC(C)(C)C(N)=NO)c1C
InChIInChI=1S/C15H28N4O/c1-6-13-11(2)17-19(12(13)3)10-8-7-9-15(4,5)14(16)18-20/h20H,6-10H2,1-5H3,(H2,16,18)
InChIKeyGQVCDZCWCDQFFR-UHFFFAOYSA-N
XLogP3.01
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.01
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol
CID 64821440
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 62229176
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64810713
2-amino-2-ethyl-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 106810069
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol
CID 64811343
1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol
CID 64821238
1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol
CID 114495869
N'-hydroxy-6-(4-iodopyrazol-1-yl)-2,2-dimethylhexanimidamide
CID 106711719
6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710782
N'-hydroxy-2,2-dimethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanimidamide
CID 106711385
1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole
CID 61396466

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711709) is 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide is CCc1c(C)nn(CCCCC(C)(C)C(N)=NO)c1C.
What is the InChIKey of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is GQVCDZCWCDQFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-13-11(2)17-19(12(13)3)10-8-7-9-15(4,5)14(16)18-20/h20H,6-10H2,1-5H3,(H2,16,18).
What are the key properties of 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 280.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).