5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide

C12H22N4O — CID 82695391

IUPAC5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide
SMILESCCc1cc(CC)n(CCCC/C(N)=N/O)n1
InChIInChI=1S/C12H22N4O/c1-3-10-9-11(4-2)16(14-10)8-6-5-7-12(13)15-17/h9,17H,3-8H2,1-2H3,(H2,13,15)
InChIKeyASXWKORDWBUBNE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.92
Rot. Bonds7

About 5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide

5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide (PubChem CID 82695391) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide
PubChem CID82695391
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide
SMILESCCc1cc(CC)n(CCCC/C(N)=N/O)n1
InChIInChI=1S/C12H22N4O/c1-3-10-9-11(4-2)16(14-10)8-6-5-7-12(13)15-17/h9,17H,3-8H2,1-2H3,(H2,13,15)
InChIKeyASXWKORDWBUBNE-UHFFFAOYSA-N
XLogP1.92
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.92
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'}

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Related Compounds

5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide
CID 82699974
2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 82694886
ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate
CID 82693116
3,5-diethyl-1-propylpyrazole
CID 82699697
3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide
CID 82700121
3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 77125248
N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide
CID 77037664
4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 82695681
N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide
CID 54965968
2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370301

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide (CID 82695391) is 5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide is CCc1cc(CC)n(CCCC/C(N)=N/O)n1.
What is the InChIKey of 5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide?
The InChIKey is ASXWKORDWBUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-10-9-11(4-2)16(14-10)8-6-5-7-12(13)15-17/h9,17H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide?
5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide has a molecular weight of 238.33 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 82695391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).