N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide

C11H21N5O — CID 103007279

IUPACN'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCCc1ccnn1C
InChIInChI=1S/C11H21N5O/c1-3-9(8-11(12)15-17)13-6-4-10-5-7-14-16(10)2/h5,7,9,13,17H,3-4,6,8H2,1-2H3,(H2,12,15)
InChIKeyJRGISWJJAMMZOD-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.47
Rot. Bonds7

About N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide

N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide (PubChem CID 103007279) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide
PubChem CID103007279
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCCc1ccnn1C
InChIInChI=1S/C11H21N5O/c1-3-9(8-11(12)15-17)13-6-4-10-5-7-14-16(10)2/h5,7,9,13,17H,3-4,6,8H2,1-2H3,(H2,12,15)
InChIKeyJRGISWJJAMMZOD-UHFFFAOYSA-N
XLogP0.47
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.47
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine
CID 104695096
N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide
CID 103002979
N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 104710482
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
CID 104694997
3-amino-3-hydroxyimino-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103010114
2-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
CID 103010119
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104695065
4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 106159828
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003
N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide
CID 103003007
N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide
CID 103007308

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide (CID 103007279) is N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide is CCC(CC(N)=NO)NCCc1ccnn1C.
What is the InChIKey of N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide?
The InChIKey is JRGISWJJAMMZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-9(8-11(12)15-17)13-6-4-10-5-7-14-16(10)2/h5,7,9,13,17H,3-4,6,8H2,1-2H3,(H2,12,15).
What are the key properties of N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide?
N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide has a molecular weight of 239.32 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide is sourced from PubChem (CID 103007279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).